SCHEMBL7501998

SCHEMBL7501998

Cn1cc(N)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCC(=N)N)n(C)n2)n(C)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRAS P01112 14/20 0.64
ESR1 P03372 13/20 0.64
ESR2 Q92731 13/20 0.64
TOP1 P11387 2/20 0.64
KDM4E B2RXH2 1/20 0.63
POLB P06746 1/20 0.63
MAPT P10636 1/20 0.63
HIF1A Q16665 1/20 0.63
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL7505798 0.95 HRAS (0.55) HRASESR1ESR2TOP1KDM4E
SCHEMBL7500851 0.95 HRAS (0.55) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL6625232 0.94 KDM4E (0.56) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL7505573 0.94 KDM4E (0.56) HRASESR1ESR2TOP1KDM4E
SCHEMBL7505152 0.92 HRAS (0.64) HRASESR1ESR2TOP1KDM4E
SCHEMBL7510361 0.91 HRAS (0.76) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL9124388 0.90 KDM4E (0.76) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL10688614 0.90 KDM4E (0.76) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL6548715 0.90 KDM4E (0.76) HRASESR1ESR2TOP1KDM4E
SCHEMBL7498866 0.88 HRAS (0.69) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0722446-B1 DISTAMYCIN A ANALOGUES AS ANTITUMOUR OR ANTIVIRAL AGENTS PHARMACIA ITALIA SPA (IT) 2002-12-11 EP disclosed