SCHEMBL6504101

SCHEMBL6504101

COC(=O)c1nc(-c2cccc(C)c2)sc1C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 6/20 0.47
ALDH1A1 P00352 5/20 0.47
LMNA P02545 3/20 0.47
KDM4E B2RXH2 3/20 0.47
GAA P10253 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 2/20 0.46
TRPM8 Q7Z2W7 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 2/20 0.44
ADORA3 P0DMS8 1/20 0.43
FFAR1 O14842 1/20 0.43
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL6496395 0.84 PIN1 (0.54) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL12875944 0.83 L3MBTL1 (0.46) L3MBTL1MAPTALDH1A1LMNAKDM4E
SCHEMBL18003971 0.83 ALDH1A1 (0.58) L3MBTL1MAPTALDH1A1KDM4EMEN1
SCHEMBL12876904 0.78 MAPT (0.54) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL270026 0.78 KDM4E (0.53) L3MBTL1ALDH1A1KDM4EGAAHSD17B10
SCHEMBL18003334 0.77 MEN1 (0.44) L3MBTL1MAPTALDH1A1LMNAKDM4E
SCHEMBL29462096 0.77 KDM4E (0.57) L3MBTL1MAPTALDH1A1LMNAKDM4E
SCHEMBL18003674 0.77 KDM4E (0.57) L3MBTL1MAPTALDH1A1LMNAKDM4E
SCHEMBL18003845 0.77 ALDH1A1 (0.46) L3MBTL1MAPTALDH1A1LMNAKDM4E
SCHEMBL1339928 0.77 KDM4E (0.52) L3MBTL1MAPTALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed