SCHEMBL9750986

SCHEMBL9750986

C=C(C#N)c1c(-c2ccc(F)cc2)cn(-c2ccccc2)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.52
HMGCR P04035 2/20 0.41
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
CASP3 P42574 1/20 0.36
BLM P54132 1/20 0.36
NCOA1 Q15788 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
PDE11A Q9HCR9 1/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
TUBB4A P04350 1/20 0.33

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
SCHEMBL10506117 0.80 ABCB1 (0.65) ABCB1HMGCRMEN1KMT2AALDH1A1
SCHEMBL9751015 0.76 MEN1 (0.61) ABCB1HMGCRMEN1KMT2AALDH1A1
SCHEMBL9750959 0.73 ABCB1 (0.49) ABCB1HMGCRMEN1KMT2AALDH1A1
SCHEMBL9750981 0.72 HMGCR (0.53) ABCB1HMGCRMEN1KMT2AALDH1A1
SCHEMBL9750954 0.69 HMGCR (0.57) ABCB1HMGCRMEN1KMT2AALDH1A1
SCHEMBL2880014 0.69 ALDH1A1 (0.61) ABCB1MEN1KMT2AALDH1A1HPGD
SCHEMBL22033235 0.69 ABCB1 (1.00) ABCB1HMGCRMEN1KMT2AALDH1A1
SCHEMBL9750874 0.68 HMGCR (0.41) ABCB1HMGCRALDH1A1KDM4EGAA
SCHEMBL9750852 0.68 HMGCR (0.53) ABCB1HMGCRMEN1KMT2AALDH1A1
SCHEMBL7834905 0.67 CA12 (0.52) ALDH1A1HPGDKDM4EGAAMAPT

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