SCHEMBL2280290

SCHEMBL2280290

NC(=O)c1cccnc1N1C=CON1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
MYC P01106 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 1/20 0.36
AHR P35869 1/20 0.36
CSNK1A1 P48729 2/20 0.35
DYRK1B Q9Y463 2/20 0.35
TYRO3 Q06418 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
PLK4 O00444 1/20 0.34
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34

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
SCHEMBL18210515 0.77 MYC (0.36) PARP1RAB9AKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL2283018 0.75 NPC1 (0.44) PARP1RAB9AKDM4EALDH1A1HPGD
SCHEMBL22396471 0.70 MYC (0.50) KDM4EALDH1A1MAPTMYCSMN1; SMN2
SCHEMBL3806342 0.69 NR1H2 (0.36) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7680902 0.69 BCAT2 (0.40) PARP1RAB9ANPC1AURKA
SCHEMBL7680894 0.69 BCAT2 (0.50) PARP1RAB9ASMN1; SMN2NPC1
SCHEMBL883905 0.68 KMT2A (0.58) PARP1KDM4EALDH1A1HSD17B10MAPT
SCHEMBL4538970 0.68 EPHX2 (0.52) KDM4EALDH1A1
SCHEMBL353774 0.68 AURKA (0.60) PARP1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL30945091 0.68 EPHX2 (0.52) KDM4EALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
WO-2013009810-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-17 WO disclosed
WO-2013009830-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-17 WO disclosed
EP-2533783-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed