SCHEMBL8189705

SCHEMBL8189705

CCCN1CCc2c(cccc2NC(=O)c2cc(Cl)c(OC)cc2OC)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.46
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ABCB1 P08183 3/20 0.44
ABCG2 Q9UNQ0 3/20 0.44
P2RY1 P47900 1/20 0.43
MAPT P10636 1/20 0.43
CARM1 Q86X55 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 2/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.43
CASP3 P42574 1/20 0.43
ATM Q13315 1/20 0.43
SENP8 Q96LD8 1/20 0.43

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
Hydrochloric Acid SCHEMBL8182718 0.99 KDR (0.45) KDRKMT2AALDH1A1KDM4EABCB1
SCHEMBL8187672 0.93 ALDH1A1 (0.50) KDRKMT2AALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL8185493 0.92 ALDH1A1 (0.49) KDRKMT2AALDH1A1KDM4EMAPT
SCHEMBL8175290 0.88 KMT2A (0.48) KMT2AALDH1A1KDM4EMAPTPOLB
SCHEMBL8440274 0.85 ALDH1A1 (0.38) KDRKMT2AALDH1A1KDM4EABCB1
SCHEMBL8183726 0.84 KMT2A (0.44) KDRKMT2AALDH1A1KDM4EPOLB
SCHEMBL8174378 0.84 KMT2A (0.42) KDRKMT2AALDH1A1KDM4EMAPT
SCHEMBL8184601 0.82 KMT2A (0.49) KMT2AALDH1A1KDM4EMAPTPOLB
SCHEMBL8176080 0.82 KMT2A (0.51) KMT2AALDH1A1KDM4EMAPTPOLB
SCHEMBL8184226 0.82 KMT2A (0.46) KDRKMT2AMAPTPOLBMEN1

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-6110934-A Substituted benzamide derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. (GB) 2000-08-29 US disclosed