SCHEMBL9809076

SCHEMBL9809076

CCn1c(C)c(SC#N)c(=O)n1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KMT2A Q03164 5/20 0.44
KDM4E B2RXH2 4/20 0.44
MEN1 O00255 4/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.40
TP53 P04637 1/20 0.37
CYP2D6 P10635 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AR P10275 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
NOTUM Q6P988 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35

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
SCHEMBL9809070 0.84 KMT2A (0.50) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL9809074 0.82 KMT2A (0.47) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL9809067 0.80 CYP19A1 (0.42) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL9809114 0.72 CYP19A1 (0.43) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL9809061 0.68 MGLL (0.37) ALDH1A1KMT2AKDM4ELMNAMAPT
SCHEMBL3882745 0.66 CYP19A1 (0.56) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL536896 0.65 CYP19A1 (0.55) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL9809118 0.62 POLB (0.42) ALDH1A1KMT2AMEN1LMNATSHR
SCHEMBL15268809 0.61 ALDH1A1 (0.49) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL9809062 0.61 CYP19A1 (0.38) ALDH1A1KMT2AMEN1LMNAMAPT

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-5063245-A Hormone inhibitors NOVA PHARMACEUTICAL CORPORATION (US) 1991-11-05 US disclosed