SCHEMBL10693599

SCHEMBL10693599

CN(CCC(=N)N)C(=O)c1cc(N(C)C(=O)c2cc(NC(=O)CCCl)c[nH]2)c[nH]1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.36
HRAS P01112 4/20 0.31
ESR1 P03372 4/20 0.31
ESR2 Q92731 4/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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 SCHEMBL10693303 0.99 DAO (0.35) DAOHRASESR1ESR2
SCHEMBL10691661 0.86 DAO (0.37) DAOHDAC1HDAC2HDAC6
SCHEMBL10691990 0.86 DAO (0.37) DAOHDAC1HDAC2HDAC6
SCHEMBL9527804 0.85 DAO (0.35) DAO
SCHEMBL10695524 0.85 DAO (0.33) DAOHRASESR1ESR2
Hydrochloric Acid SCHEMBL10692472 0.85 DAO (0.36) DAOHDAC1HDAC2HDAC6
Hydrochloric Acid SCHEMBL10691128 0.85 DAO (0.36) DAOHDAC1HDAC2HDAC6
Hydrochloric Acid SCHEMBL10691326 0.85 DAO (0.33) DAOHRASESR1ESR2
SCHEMBL10690297 0.83 DAO (0.37) DAO
SCHEMBL10693093 0.83 DAO (0.35) DAOESR2

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