SCHEMBL8774856

SCHEMBL8774856

CCCCOc1ccc(CCc2cnc(Cl)c(Cl)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GLA P06280 1/20 0.46
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
KMT2A Q03164 1/20 0.43
SLCO1B3 Q9NPD5 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43
TSHR P16473 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 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
SCHEMBL8774425 0.97 RAB9A (0.46) SMN1; SMN2RAB9ANPC1HSD17B10GLA
SCHEMBL8774078 0.94 LMNA (0.47) SMN1; SMN2RAB9ANPC1HSD17B10MAPT
SCHEMBL8774190 0.88 ALDH1A1 (0.51) SMN1; SMN2RAB9AMAPTL3MBTL1MEN1
SCHEMBL8774663 0.88 SMN1; SMN2 (0.45) SMN1; SMN2RAB9ANPC1HSD17B10GLA
SCHEMBL8774662 0.86 RAB9A (0.46) SMN1; SMN2RAB9ANPC1HSD17B10MAPT
SCHEMBL8774683 0.84 RAB9A (0.40) SMN1; SMN2RAB9ANPC1HSD17B10GLA
SCHEMBL8774499 0.81 TAAR1 (0.39) SMN1; SMN2RAB9ANPC1MAPTL3MBTL1
SCHEMBL12430744 0.81 RAB9A (0.42) SMN1; SMN2RAB9ANPC1GLAMAPT
SCHEMBL9158938 0.80 RAB9A (0.50) SMN1; SMN2RAB9ANPC1HSD17B10MAPT
SCHEMBL27291555 0.79 NPC1 (0.47) SMN1; SMN2RAB9ANPC1HSD17B10L3MBTL1

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