SCHEMBL9038223

SCHEMBL9038223

Cc1c(NC(=O)c2cc(N)cn2C)c[nH]c1C(=O)NCCC(=N)N

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRAS P01112 14/20 0.49
ESR1 P03372 13/20 0.49
ESR2 Q92731 13/20 0.49
TOP1 P11387 2/20 0.49
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
HIF1A Q16665 1/20 0.48
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31

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 SCHEMBL7759399 0.98 KDM4E (0.49) HRASESR1ESR2TOP1KDM4E
SCHEMBL9039315 0.91 HRAS (0.42) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL7826181 0.90 KDM4E (0.40) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL7839114 0.89 KDM4E (0.39) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL7810487 0.87 KDM4E (0.38) HRASESR1ESR2TOP1KDM4E
SCHEMBL9040894 0.82 HRAS (0.39) HRASESR1ESR2TOP1KDM4E
SCHEMBL14002816 0.81 HRAS (0.61) HRASESR1ESR2TOP1KDM4E
SCHEMBL5693471 0.80 HRAS (0.40) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL7762983 0.80 KDM4E (0.35) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL9038991 0.80 KDM4E (0.48) HRASESR1ESR2TOP1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0722446-A1 DISTAMYCIN A ANALOGUES AS ANTITUMOUR OR ANTIVIRAL AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 1996-07-24 EP disclosed
WO-1996005196-A1 DISTAMYCIN A ANALOGUES AS ANTITUMOUR OR ANTIVIRAL AGENTS PHARMACIA S.P.A. (IT) 1996-02-22 WO disclosed