SCHEMBL9855141

SCHEMBL9855141

CCc1ccc(C#Cc2cnc(Cl)cn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.42
ACACB O00763 5/20 0.41
CYP2A6 P11509 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MCHR1 Q99705 3/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
FFAR4 Q5NUL3 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
SCHEMBL9855066 0.87 FFAR1 (0.47) FFAR1ACACBMCHR1FFAR4
SCHEMBL9855424 0.84 FFAR1 (0.45) FFAR1ACACBL3MBTL1TDP1MCHR1
SCHEMBL9854937 0.83 FFAR1 (0.44) FFAR1ACACBL3MBTL1MCHR1MAPT
SCHEMBL9158538 0.83 FFAR1 (0.59) FFAR1ACACBCYP2A6EGLN1L3MBTL1
SCHEMBL9855386 0.82 HSD17B10 (0.46) FFAR1MCHR1MAPTRAB9AFFAR4
SCHEMBL9499428 0.82 MCHR1 (0.48) FFAR1ACACBCYP2A6EGLN1MCHR1
SCHEMBL9855730 0.82 ACACB (0.48) ACACBTDP1MCHR1
SCHEMBL9494958 0.81 ACACB (0.49) FFAR1ACACBCYP2A6EGLN1MCHR1
SCHEMBL9855660 0.81 EGLN1 (0.48) FFAR1ACACBCYP2A6EGLN1MCHR1
SCHEMBL9854902 0.81 GRM5 (0.48) FFAR1ACACBMCHR1CHRNB2CHRNA4

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