SCHEMBL9855424

SCHEMBL9855424

CCCCc1ccc(C#Cc2cnc(Cl)cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.45
MCHR1 Q99705 2/20 0.44
ACACB O00763 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 3/20 0.37
NFKB1 P19838 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.37
THPO P40225 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
HIF1A Q16665 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
SCHEMBL9854937 0.96 FFAR1 (0.44) FFAR1MCHR1ACACBTSHRHSD17B10
SCHEMBL9855386 0.94 HSD17B10 (0.46) FFAR1MCHR1TSHRHSD17B10ALDH1A1
SCHEMBL9855066 0.91 FFAR1 (0.47) FFAR1MCHR1ACACBFFAR4
SCHEMBL10519174 0.86 HSD17B10 (0.37) FFAR1MCHR1ACACBTSHRHSD17B10
SCHEMBL9159057 0.85 FFAR1 (0.61) FFAR1MCHR1ACACBTSHRHSD17B10
SCHEMBL9855141 0.84 FFAR1 (0.42) FFAR1MCHR1ACACBMAPTTDP1
SCHEMBL24538233 0.84 SMN1; SMN2 (0.40) FFAR1MCHR1ACACBTSHRHSD17B10
SCHEMBL30525699 0.84 SMN1; SMN2 (0.40) FFAR1MCHR1ACACBTSHRHSD17B10
SCHEMBL9498326 0.84 MCHR1 (0.55) FFAR1MCHR1ACACBFFAR4
SCHEMBL9856080 0.84 NPC1 (0.48) MCHR1ACACBHSD17B10ALDH1A1KDM4E

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