SCHEMBL10692796

SCHEMBL10692796

Cn1cc(NC(=O)c2cc(NC(=O)C3CO3)cn2C)cc1C(=O)NCCC(=N)N

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRAS P01112 14/20 0.67
ESR1 P03372 13/20 0.67
ESR2 Q92731 13/20 0.67
TOP1 P11387 2/20 0.67
KDM4E B2RXH2 1/20 0.66
POLB P06746 1/20 0.66
MAPT P10636 1/20 0.66
HIF1A Q16665 1/20 0.66
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
ERBB2 P04626 1/20 0.33
P2RY12 Q9H244 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
Hydrochloric Acid SCHEMBL10691647 0.99 KDM4E (0.68) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL9430939 0.93 KDM4E (0.60) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL9431082 0.90 KDM4E (0.58) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL9431070 0.88 KDM4E (0.58) HRASESR1ESR2TOP1KDM4E
SCHEMBL10690650 0.87 HRAS (0.70) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL10693198 0.86 KDM4E (0.70) HRASESR1ESR2TOP1KDM4E
SCHEMBL10688864 0.85 HRAS (0.67) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL10691104 0.84 KDM4E (0.68) HRASESR1ESR2TOP1KDM4E
SCHEMBL30469493 0.84 HRAS (0.79) HRASESR1ESR2TOP1KDM4E
SCHEMBL7510361 0.82 HRAS (0.76) 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
US-4766142-A ANTICARCINOGENIC AGENTS FARMITALIA CARLO ERBA S.R.L. (IT) 1988-08-23 US disclosed