SCHEMBL10693765

SCHEMBL10693765

CC1OC1C(=O)Nc1c[nH]c(C(=O)N(C)c2c[nH]c(C(=O)N(C)c3c[nH]c(C(=O)N(C)CCCN(C)C)c3)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.36
ALDH1A1 P00352 1/20 0.31
ROCK2 O75116 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL10694563 1.00 DAO (0.36) DAOALDH1A1ROCK2MEN1KMT2A
SCHEMBL10693224 1.00 DAO (0.36) DAOALDH1A1ROCK2MEN1KMT2A
Hydrochloric Acid SCHEMBL10691377 0.99 DAO (0.36) DAOALDH1A1
Hydrochloric Acid SCHEMBL10691082 0.99 DAO (0.36) DAOALDH1A1
SCHEMBL10688638 0.87 DAO (0.36) DAOALDH1A1ROCK2
SCHEMBL10691962 0.87 DAO (0.36) DAOALDH1A1ROCK2
SCHEMBL10693179 0.87 DAO (0.36) DAOALDH1A1ROCK2
SCHEMBL10692688 0.87 ALDH1A1 (0.37) DAOALDH1A1ROCK2MEN1KMT2A
SCHEMBL10693292 0.87 ALDH1A1 (0.37) DAOALDH1A1ROCK2MEN1KMT2A
SCHEMBL10694161 0.87 ALDH1A1 (0.37) DAOALDH1A1ROCK2MEN1KMT2A

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