SCHEMBL10692784

SCHEMBL10692784

C=C(CC)C(=O)c1ccc2c(c1)O[N+](C)(C)C(=O)C2C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 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
SCHEMBL10691793 0.80 HPGD (0.48) MEN1KMT2AATM
SCHEMBL10693278 0.77 MEN1 (0.32) MEN1KMT2AATM
SCHEMBL10693560 0.74 ALDH1A1 (0.38)
SCHEMBL11531141 0.61 TRPA1 (0.45) MEN1KMT2AATM
SCHEMBL5807628 0.59 EGFR (0.63) ATM
SCHEMBL23190959 0.58 ALDH1A1 (0.48) KMT2A
SCHEMBL14399866 0.58 NPC1 (0.44) ATM
SCHEMBL10692241 0.56 HPGD (0.48) MEN1KMT2AATM
SCHEMBL10687957 0.55 HPGD (0.52) MEN1KMT2AATM
SCHEMBL5694688 0.54 ESR1 (0.56) ATM

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-4778792-A Use of 7-acyl benzoxazinones and their derivatives in treating atheromatous disorders LABORATORIES NEGMA (FR) 1988-10-18 US disclosed