SCHEMBL241393

SCHEMBL241393

Cc1cccc(-n2nnc3ccccc32)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.54
TDO2 P48775 1/20 0.54
ALDH1A1 P00352 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
GAA P10253 2/20 0.51
MGAM O43451 1/20 0.51
AMY1A P0DUB6 1/20 0.51
SI P14410 1/20 0.51
MGAM2 Q2M2H8 1/20 0.51
CYP1A2 P05177 1/20 0.51
POLB P06746 1/20 0.51
CYP3A4 P08684 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 1/20 0.50
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
NPC1 O15118 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ADORA3 P0DMS8 2/20 0.47

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
SCHEMBL22567102 0.87 ALDH1A1 (0.51) IDO1TDO2ALDH1A1L3MBTL1GAA
SCHEMBL22567095 0.81 KDM4E (0.54) IDO1TDO2ALDH1A1L3MBTL1GAA
SCHEMBL172700 0.81 ALDH1A1 (0.56) ALDH1A1L3MBTL1GAAMGAMAMY1A
SCHEMBL13604186 0.81 SMN1; SMN2 (0.48) ALDH1A1L3MBTL1GAAMGAMAMY1A
SCHEMBL2091203 0.81 FGFR1 (0.56) ALDH1A1L3MBTL1GAAMGAMAMY1A
Hydrochloric Acid SCHEMBL22559646 0.80 KDM4E (0.52) IDO1TDO2ALDH1A1L3MBTL1GAA
Hydrochloric Acid SCHEMBL29394980 0.80 KDM4E (0.52) IDO1TDO2ALDH1A1L3MBTL1GAA
SCHEMBL2627246 0.80 KDM4E (0.64) ALDH1A1L3MBTL1CYP1A2POLBCYP3A4
SCHEMBL16358826 0.80 SMN1; SMN2 (0.64) ALDH1A1L3MBTL1GAAMGAMAMY1A
SCHEMBL16596178 0.80 NT5E (0.58) ALDH1A1L3MBTL1CYP1A2POLBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4198024-A1 PYRAZOLE MAGL INHIBITORS H. Lundbeck A/S (DK) 2023-06-21 EP disclosed
EP-3294732-B1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GILEAD SCIENCES INC (US) 2019-09-25 EP disclosed
EP-2485591-B1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2016-03-23 EP disclosed
EP-1679361-B1 CLEANING AGENT FOR SUBSTRATE AND CLEANING METHOD WAKO PURE CHEM IND LTD (JP) 2015-06-24 EP disclosed
US-8900371-B2 Cleaning agent for substrate and cleaning method WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-12-02 US disclosed
US-20120000485-A1 CLEANING AGENT FOR SUBSTRATE AND CLEANING METHOD WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-01-05 US disclosed
US-20070235061-A1 Cleaning Agent for Substrate and Cleaning Method WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2007-10-11 US disclosed
EP-1679361-A1 CLEANING AGENT FOR SUBSTRATE AND CLEANING METHOD Wako Pure Chemical Industries, Ltd. (JP) 2006-07-12 EP disclosed