SCHEMBL8774612

SCHEMBL8774612

CCCc1ccc(-c2cnc(Cl)nc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
NPC1 O15118 4/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.40
GFER P55789 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
KMT2A Q03164 1/20 0.39
MCL1 Q07820 1/20 0.39
PTGS2 P35354 1/20 0.39
PKM P14618 1/20 0.39
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38

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
SCHEMBL9155797 0.83 PIK3CD (0.48) NISCHRAB9ASMN1; SMN2NPC1TP53
SCHEMBL10620525 0.82 RAB9A (0.56) NISCHRAB9ASMN1; SMN2NPC1TP53
SCHEMBL303902 0.79 NPC1 (0.40) RAB9ASMN1; SMN2NPC1TP53MAPT
SCHEMBL8774882 0.79 RAB9A (0.41) NISCHRAB9ASMN1; SMN2NPC1TP53
SCHEMBL4802707 0.78 LPL (0.54) NISCHRAB9ANPC1MAPTGFER
SCHEMBL7451380 0.77 MAOB (0.59) KDM4EALDH1A1GAAMCL1LPL
SCHEMBL27433082 0.77 IDO1 (0.45) NISCHRAB9ASMN1; SMN2NPC1TP53
SCHEMBL10461717 0.77 MCHR1 (0.48) NISCHRAB9ASMN1; SMN2NPC1TP53
SCHEMBL11751515 0.77 HSD17B10 (0.46) NISCHRAB9ASMN1; SMN2NPC1TP53
SCHEMBL31434295 0.76 MKNK1 (0.48) RAB9ANPC1MEN1KMT2A

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
EP-0519370-B1 Heterocyclic derivatives MERCK PATENT GMBH (DE) 1997-11-05 EP disclosed
EP-0519370-A2 Heterocyclic derivatives MERCK PATENT GmbH (DE) 1992-12-23 EP disclosed