SCHEMBL9713663

SCHEMBL9713663

CCCCCCc1cnc(C#Cc2ccc(OC(F)(F)F)cc2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
ACACB O00763 1/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MCHR1 Q99705 1/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
KMT2A Q03164 1/20 0.37
SLCO1B3 Q9NPD5 1/20 0.37
SLCO1B1 Q9Y6L6 1/20 0.37

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
SCHEMBL9712772 1.00 L3MBTL1 (0.41) L3MBTL1MAPTRAB9AACACBCASP3
SCHEMBL9712895 1.00 L3MBTL1 (0.41) L3MBTL1MAPTRAB9AACACBCASP3
SCHEMBL9713175 0.99 L3MBTL1 (0.42) L3MBTL1MAPTRAB9AACACBCASP3
SCHEMBL9713053 0.95 ACACB (0.41) L3MBTL1MAPTRAB9AACACBCASP3
SCHEMBL9712996 0.90 ACACB (0.43) L3MBTL1ACACBMCHR1SMN1; SMN2MEN1
SCHEMBL9712902 0.90 L3MBTL1 (0.39) L3MBTL1MAPTRAB9AACACBCASP3
SCHEMBL9713550 0.90 L3MBTL1 (0.39) L3MBTL1MAPTRAB9AACACBCASP3
SCHEMBL9713150 0.90 L3MBTL1 (0.39) L3MBTL1MAPTRAB9AACACBCASP3
SCHEMBL9713931 0.88 MAPT (0.40) L3MBTL1MAPTRAB9AACACBCASP3
SCHEMBL9496727 0.87 ALDH1A1 (0.48) L3MBTL1MAPTRAB9AACACBCASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5164114-A LIQUID CRYSTAL MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1992-11-17 US disclosed