SCHEMBL10693713

SCHEMBL10693713

Cc1cccc2c1C(C)C(=O)NO2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.39
PARP1 P09874 1/20 0.36
CREBBP Q92793 3/20 0.34
BRD4 O60885 2/20 0.34
PBRM1 Q86U86 1/20 0.33
HTR2C P28335 2/20 0.33
ACHE P22303 1/20 0.33
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.31
DAO P14920 1/20 0.31
AR P10275 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
SCHEMBL10692671 0.80 PARP1 (0.32) PARP1
SCHEMBL7727599 0.76 MAP3K14 (0.40) MAP3K14CREBBPBRD4ACHEALDH1A1
SCHEMBL31500920 0.76 MAP3K14 (0.40) MAP3K14CREBBPBRD4ACHEALDH1A1
SCHEMBL30613493 0.73 PARP1 (0.42) PARP1CREBBPBRD4
SCHEMBL6493919 0.73 PARP1 (0.42) PARP1CREBBPBRD4
SCHEMBL30363562 0.73 MAP3K14 (0.35) MAP3K14
SCHEMBL24112741 0.69 CREBBP (0.47) PARP1CREBBPBRD4PBRM1HTR2C
SCHEMBL24112853 0.69 CREBBP (0.47) PARP1CREBBPBRD4PBRM1HTR2C
SCHEMBL9397418 0.68 MAP3K14 (0.40) MAP3K14HTR2CALDH1A1
SCHEMBL3238451 0.67 PGR (0.31) PARP1

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