SCHEMBL9854937

SCHEMBL9854937

CCCCCc1ccc(C#Cc2cnc(Cl)cn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.44
MCHR1 Q99705 2/20 0.44
HSD17B10 Q99714 3/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ESR1 P03372 2/20 0.39
ADRA2A P08913 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
TACR2 P21452 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39

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
SCHEMBL9855386 0.99 HSD17B10 (0.46) FFAR1MCHR1HSD17B10TSHRKDM4E
SCHEMBL9855424 0.96 FFAR1 (0.45) FFAR1MCHR1HSD17B10TSHRKDM4E
SCHEMBL9855066 0.90 FFAR1 (0.47) FFAR1MCHR1ACACBFFAR4
SCHEMBL10519174 0.87 HSD17B10 (0.37) FFAR1MCHR1HSD17B10TSHRKDM4E
SCHEMBL9161075 0.85 FFAR1 (0.59) FFAR1HSD17B10TSHRKDM4EALDH1A1
SCHEMBL9497141 0.84 MCHR1 (0.54) FFAR1MCHR1HSD17B10TSHRKDM4E
SCHEMBL9498210 0.84 ACACB (0.50) FFAR1MCHR1HSD17B10TSHRKDM4E
SCHEMBL9854946 0.84 HSD17B10 (0.46) FFAR1MCHR1HSD17B10TSHRKDM4E
SCHEMBL9500256 0.83 MCHR1 (0.53) FFAR1MCHR1HSD17B10TSHRKDM4E
SCHEMBL9855141 0.83 FFAR1 (0.42) FFAR1MCHR1MAPTRAB9AL3MBTL1

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-5068053-A Liquid crystals for optical apparatus MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-26 US disclosed