SCHEMBL9709952

SCHEMBL9709952

O=C(Cl)/C(Cl)=C\c1cccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.48
MAPT P10636 4/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
ABCG2 Q9UNQ0 2/20 0.41
GCK P35557 1/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 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
SCHEMBL9709956 1.00 HCAR2 (0.48) HCAR2MAPTKMT2ALMNANPSR1
SCHEMBL9709946 1.00 HCAR2 (0.48) HCAR2MAPTKMT2ALMNANPSR1
SCHEMBL9709967 0.86 HCAR2 (0.52) HCAR2MAPTKMT2ALMNANPSR1
SCHEMBL9709963 0.86 HCAR2 (0.52) HCAR2MAPTKMT2ALMNANPSR1
SCHEMBL9709969 0.86 HCAR2 (0.52) HCAR2MAPTKMT2ALMNANPSR1
SCHEMBL11277206 0.79
SCHEMBL11539420 0.73 HCAR2 (0.55) HCAR2MAPTKMT2ALMNANPSR1
SCHEMBL8303646 0.73 HCAR2 (0.55) HCAR2MAPTKMT2ALMNANPSR1
SCHEMBL8303644 0.73 HCAR2 (0.55) HCAR2MAPTKMT2ALMNANPSR1
SCHEMBL9315358 0.72 MAPT (0.57) HCAR2MAPTKMT2ALMNANPSR1

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
WO-1992020689-A1 ANTIBACTERIAL PENEM DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 1992-11-26 WO disclosed