SCHEMBL10849065

SCHEMBL10849065

ClCc1cccc(-c2nc3ccccc3o2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.57
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 4/20 0.57
NPC1 O15118 3/20 0.57
TP53 P04637 2/20 0.57
HPGD P15428 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
PKM P14618 1/20 0.51
P2RY14 Q15391 3/20 0.50
RAB9A P51151 1/20 0.50
ATM Q13315 1/20 0.50
USP2 O75604 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL28265559 0.85 KDM4E (0.63) HSD17B10KDM4EALDH1A1NPC1TP53
SCHEMBL28265572 0.85 KDM4E (0.75) HSD17B10KDM4EALDH1A1NPC1TP53
SCHEMBL11645317 0.85 HSD17B10 (0.57) HSD17B10KDM4EALDH1A1NPC1TP53
SCHEMBL376001 0.84 ALDH1A1 (0.64) HSD17B10KDM4EALDH1A1NPC1TP53
SCHEMBL2998669 0.83 NPC1 (0.71) HSD17B10KDM4EALDH1A1NPC1TP53
SCHEMBL28267022 0.82 KDM4E (0.56) HSD17B10KDM4EALDH1A1NPC1TP53
SCHEMBL12076741 0.82 ALDH1A1 (0.62) HSD17B10KDM4EALDH1A1NPC1TP53
SCHEMBL12376180 0.80 ALDH1A1 (0.60) HSD17B10KDM4EALDH1A1NPC1TP53
SCHEMBL28265565 0.80 KDM4E (0.54) HSD17B10KDM4EALDH1A1NPC1TP53
SCHEMBL5792476 0.80 SMN1; SMN2 (0.65) HSD17B10KDM4EALDH1A1NPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0116942-B1 METHOD TO PREPARE 4,4'-BIS-BENZ-OX(THI, -IMID)-AZOL-2-YL STILBENES HOECHST AKTIENGESELLSCHAFT (DE) 1986-07-16 EP disclosed
US-4585875-A FROM 4-CHLOROMETHYL BENZOIC IMIDO ESTER HOECHST AKTIENGESELLSCHAFT (DE) 1986-04-29 US disclosed
EP-0116942-A1 Method to prepare 4,4'-bis-benz-ox(thi, -imid)-azol-2-yl stilbenes HOECHST AKTIENGESELLSCHAFT (DE) 1984-08-29 EP disclosed