SCHEMBL9713143

SCHEMBL9713143

CCCCc1cnc(C#Cc2ccc(OC(F)(F)C(F)F)cc2)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.37
CETP P11597 1/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
RAB9A P51151 1/20 0.36
ACACB O00763 13/20 0.35
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
PKM P14618 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL9713931 0.96 MAPT (0.40) MCHR1CETPMAPTL3MBTL1RAB9A
SCHEMBL9713150 0.95 L3MBTL1 (0.39) MCHR1CETPMAPTL3MBTL1RAB9A
SCHEMBL9713550 0.95 L3MBTL1 (0.39) MCHR1CETPMAPTL3MBTL1RAB9A
SCHEMBL9712902 0.95 L3MBTL1 (0.39) MCHR1CETPMAPTL3MBTL1RAB9A
SCHEMBL9713673 0.93 MCHR1 (0.38) MCHR1CETPACACB
SCHEMBL9713053 0.89 ACACB (0.41) MCHR1MAPTL3MBTL1RAB9AACACB
SCHEMBL9713362 0.88 ACACB (0.39) MCHR1CETPL3MBTL1ACACB
SCHEMBL9713252 0.86 ACACB (0.47) MCHR1CETPMAPTL3MBTL1RAB9A
SCHEMBL9713175 0.85 L3MBTL1 (0.42) MCHR1MAPTL3MBTL1RAB9AACACB
SCHEMBL9712772 0.84 L3MBTL1 (0.41) MCHR1MAPTL3MBTL1RAB9AACACB

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