SCHEMBL8774683

SCHEMBL8774683

CCCc1ccc(CCc2cnc(Cl)c(Cl)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.40
TP53 P04637 2/20 0.40
PKM P14618 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
CSNK2A1 P68400 1/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35

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
SCHEMBL10282386 0.93 ALDH1A1 (0.44) RAB9ASMN1; SMN2NPC1TP53PKM
SCHEMBL8774663 0.90 SMN1; SMN2 (0.45) RAB9ASMN1; SMN2NPC1TP53PKM
SCHEMBL8774499 0.89 TAAR1 (0.39) RAB9ASMN1; SMN2NPC1ALDH1A1NPSR1
SCHEMBL8774662 0.88 RAB9A (0.46) RAB9ASMN1; SMN2NPC1TP53HSD17B10
SCHEMBL8774078 0.84 LMNA (0.47) RAB9ASMN1; SMN2NPC1HSD17B10ALDH1A1
SCHEMBL8774856 0.84 SMN1; SMN2 (0.47) RAB9ASMN1; SMN2NPC1PKMHSD17B10
SCHEMBL8774190 0.83 ALDH1A1 (0.51) RAB9ASMN1; SMN2TP53ALDH1A1KDM4E
SCHEMBL8774882 0.83 RAB9A (0.41) RAB9ASMN1; SMN2NPC1TP53PKM
SCHEMBL8774425 0.82 RAB9A (0.46) RAB9ASMN1; SMN2NPC1TP53HSD17B10
SCHEMBL12430744 0.81 RAB9A (0.42) RAB9ASMN1; SMN2NPC1TP53PKM

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