SCHEMBL9750981

SCHEMBL9750981

Cc1c(/C=C/C#N)c(-c2ccc(F)cc2)cn1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.53
ABCB1 P08183 1/20 0.41
PDE11A Q9HCR9 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAOB P27338 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 2/20 0.34
SQOR Q9Y6N5 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TAAR1 Q96RJ0 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
SCHEMBL9751007 0.81 HMGCR (0.56) HMGCRABCB1PDE11AMEN1KMT2A
SCHEMBL9751002 0.81 HMGCR (0.56) HMGCRABCB1PDE11AMEN1KMT2A
SCHEMBL9750954 0.80 HMGCR (0.57) HMGCRABCB1PDE11AMEN1KMT2A
SCHEMBL9750986 0.72 ABCB1 (0.52) HMGCRABCB1PDE11AMEN1KMT2A
SCHEMBL9750959 0.70 ABCB1 (0.49) HMGCRABCB1PDE11AMEN1KMT2A
SCHEMBL9750927 0.69 HMGCR (0.66) HMGCRABCB1
SCHEMBL10506117 0.69 ABCB1 (0.65) HMGCRABCB1MEN1KMT2AMAPT
SCHEMBL9518155 0.69 HMGCR (0.53) HMGCRKDM4EALDH1A1SMN1; SMN2
SCHEMBL9750857 0.69 HMGCR (0.78) HMGCR
SCHEMBL7834905 0.67 CA12 (0.52) MAPTSQORKDM4EALDH1A1HPGD

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-5055484-A Anticholesterol and antilipemic agent HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-08 US disclosed