SCHEMBL7143732

SCHEMBL7143732

COC(=O)c1ccc(SCc2ccccn2)cc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
PKM P14618 1/20 0.46
SYK P43405 3/20 0.45
AURKB Q96GD4 1/20 0.45
INCENP Q9NQS7 1/20 0.45
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
METAP2 P50579 1/20 0.43
DAO P14920 1/20 0.42
POLB P06746 1/20 0.41
GRM5 P41594 1/20 0.41
GCK P35557 1/20 0.41
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL7144409 0.87 DAO (0.46) L3MBTL1SYKAURKBINCENPLMNA
SCHEMBL6623321 0.80 POLB (0.46) L3MBTL1PKMLMNAALDH1A1POLB
SCHEMBL7144133 0.80 FNTA (0.55) RAB9AKMT2A
SCHEMBL7144129 0.80 FNTA (0.55) RAB9AKMT2A
SCHEMBL1017315 0.78 METAP2 (0.60) L3MBTL1PKMALDH1A1KDM4EALOX15
SCHEMBL6777063 0.73 PKM (0.46) L3MBTL1PKMKMT2AMAPK1
SCHEMBL17992350 0.72 GRM5 (0.52) L3MBTL1PKMLMNAHTTALDH1A1
SCHEMBL30284986 0.72 GRM5 (0.52) L3MBTL1PKMLMNAHTTALDH1A1
SCHEMBL19512975 0.72 SLC6A3 (0.52) LMNAHTTALDH1A1KDM4EALOX15
SCHEMBL6671833 0.71 TDP1 (0.47) ALDH1A1KDM4EPOLBGRM5CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0873123-B1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2003-04-09 EP disclosed
EP-0873123-A4 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 1999-02-03 EP disclosed
EP-0873123-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-10-28 EP disclosed
WO-1997017070-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1997-05-15 WO disclosed