SCHEMBL9687801

SCHEMBL9687801

CC1=C(C)C(=O)N(c2cc3c(cc2F)OCC(=O)N3Cc2ccccn2)C1=O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.57
SCN9A Q15858 5/20 0.46
ALDH1A1 P00352 3/20 0.46
ALOX15 P16050 1/20 0.46
CHRM1 P11229 1/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL9685904 0.88 BRD4 (0.49) BRD4SCN9AALDH1A1ALOX15MEN1
SCHEMBL9685790 0.83 BRD4 (0.53) BRD4SCN9AALDH1A1ALOX15CHRM1
SCHEMBL9686559 0.83 BRD4 (0.49) BRD4SCN9AALDH1A1ALOX15MEN1
SCHEMBL9685812 0.80 BRD4 (0.51) BRD4SCN9AALDH1A1ALOX15MEN1
SCHEMBL9687541 0.80 BRD4 (0.50) BRD4SCN9AALDH1A1ALOX15MEN1
SCHEMBL9686505 0.80 BRD4 (0.45) BRD4SCN9AALDH1A1ALOX15MEN1
SCHEMBL9687662 0.79 BRD4 (0.53) BRD4SCN9AALDH1A1ALOX15CHRM1
SCHEMBL9686482 0.78 BRD4 (0.46) BRD4SCN9AALDH1A1ALOX15MEN1
SCHEMBL9728989 0.78 BRD4 (0.47) BRD4SCN9AALDH1A1ALOX15CHRM1
SCHEMBL9685821 0.78 BRD4 (0.44) BRD4SCN9AALDH1A1ALOX15MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0296416-B1 BENZO-ANELLATED CYCLIC COMPOUNDS NIHON BAYER AGROCHEM K.K. (JP) 1992-07-29 EP disclosed
US-5077401-A Herbicides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1991-12-31 US disclosed
EP-0296416-A1 Benzo-anellated cyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1988-12-28 EP disclosed