SCHEMBL9494882

SCHEMBL9494882

CCCCCCCc1ccc(C#Cc2ccc(OCCC)c(F)c2F)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.41
MAPT P10636 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
STAT3 P40763 1/20 0.39
ATM Q13315 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
ACACB O00763 2/20 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
SCHEMBL9497037 1.00 RAB9A (0.41) RAB9AMAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL9496322 0.99 RAB9A (0.42) RAB9AMAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL10512719 0.98 MAPT (0.41) RAB9AMAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL9497274 0.97 RAB9A (0.42) RAB9AMAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL9498310 0.97 RAB9A (0.44) RAB9AMAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL10511057 0.97 RAB9A (0.42) RAB9AMAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL9497021 0.97 RAB9A (0.44) RAB9AMAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL9496316 0.97 RAB9A (0.42) RAB9AMAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL9496215 0.95 RAB9A (0.38) RAB9AMAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL9495912 0.95 RAB9A (0.45) RAB9AMAPTL3MBTL1SMN1; SMN2NPC1

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-0306505-B1 ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES MERCK PATENT GmbH (DE) 1993-03-24 EP disclosed
US-5068053-A Liquid crystals for optical apparatus MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-26 US disclosed