SCHEMBL2282741

SCHEMBL2282741

NC(=O)c1ccccc1N1C=CON1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
METAP2 P50579 1/20 0.37
BCAT2 O15382 1/20 0.36
LMNA P02545 2/20 0.34
PARP1 P09874 2/20 0.33
GAA P10253 1/20 0.33
CTNNB1 P35222 1/20 0.33
AURKA O14965 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
ATM Q13315 1/20 0.33
CSNK1A1 P48729 1/20 0.33
TYRO3 Q06418 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL2283018 0.98 NPC1 (0.44) NPC1ALDH1A1KDM4EMAPTHPGD
SCHEMBL2487391 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL7680902 0.84 BCAT2 (0.40) NPC1BCAT2PARP1AURKASIRT1
SCHEMBL2789494 0.84 ALDH1A1 (0.42) ALDH1A1
SCHEMBL21801994 0.84
Hydrochloric Acid SCHEMBL2283015 0.79 DGAT1 (0.31) ALDH1A1MAPTHPGDLMNA
SCHEMBL7680897 0.78 ALDH1A1 (0.51) NPC1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2280290 0.76 PARP1 (0.42) NPC1ALDH1A1KDM4EMAPTHPGD
SCHEMBL18210515 0.76 MYC (0.36) ALDH1A1KDM4EMAPTTSHRPARP1
SCHEMBL7680894 0.76 BCAT2 (0.50) NPC1TSHRBCAT2PARP1SIRT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4384016-A1 ACTIVE COMPOUND COMBINATIONS AND FUNGICIDE COMPOSITIONS COMPRISING THOSE Bayer Aktiengesellschaft (DE) 2024-06-19 EP claimed
EP-4250926-A1 AGROCHEMICAL COMPOSITION COMPRISING 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS AND USE THEREOF PI Industries Ltd. (IN) 2023-10-04 EP claimed
WO-2023017120-A1 ACTIVE COMPOUND COMBINATIONS AND FUNGICIDE COMPOSITIONS COMPRISING THOSE BAYER AKTIENGESELLSCHAFT (DE) 2023-02-16 WO claimed
EP-4117433-A1 METHODS OF CONTROLLING OR PREVENTING INFESTATION OF PLANTS BY THE PHYTOPATHOGENIC MICROORGANISM CORYNESPORA CASSIICOLA Syngenta Crop Protection AG (CH) 2023-01-18 EP claimed
WO-2022113033-A1 AGROCHEMICAL COMPOSITION COMPRISING 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS AND USE THEREOF PI INDUSTRIES LTD. (IN) 2022-06-02 WO claimed
WO-2021180975-A1 METHODS OF CONTROLLING OR PREVENTING INFESTATION OF PLANTS BY THE PHYTOPATHOGENIC MICROORGANISM CORYNESPORA CASSIICOLA SYNGENTA CROP PROTECTION AG (CH) 2021-09-16 WO claimed
WO-2021069707-A1 ACTIVE COMPOUND COMBINATIONS BAYER AKTIENGESELLSCHAFT (DE) 2021-04-15 WO claimed
EP-3746439-A2 OXADIAZOLES FOR USE IN CONTROLLING PHYTOPATHOGENIC FUNGI PI Industries Ltd. (IN) 2020-12-09 EP claimed
WO-2019150219-A2 NOVEL OXADIAZOLES PI INDUSTRIES LTD. (IN) 2019-08-08 WO claimed
EP-3291809-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2018-03-14 EP claimed
EP-3291810-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2018-03-14 EP claimed
WO-2016179554-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2016-11-10 WO claimed
WO-2016179550-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2016-11-10 WO claimed
WO-2013009830-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-17 WO claimed
WO-2013009810-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-17 WO claimed
EP-1879573-A4 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORP (US) 2009-07-08 EP claimed
EP-1879573-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME Incyte Corporation (US) 2008-01-23 EP claimed
WO-2006122150-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORPORATION (US) 2006-11-16 WO claimed
WO-2024137625-A1 SOPHOROLIPIDS AND SOPHOROLIPID DERIVATIVES AS TANK MIX ADDITIVES AND ADJUVANTS IN CROP PROTECTION FORMULATIONS LOCUS SOLUTIONS IPCO, LLC (US) 2024-06-27 WO disclosed
US-6369088-B2 ANTIDIABETIC AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-09 US disclosed