SCHEMBL9687541

SCHEMBL9687541

O=C1COc2cc(F)c([N+](=O)[O-])cc2N1Cc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.50
SCN9A Q15858 4/20 0.46
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 3/20 0.46
ALOX15 P16050 1/20 0.44
SLC5A2 P31639 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL9685790 0.83 BRD4 (0.53) BRD4SCN9AALDH1A1KDM4EALOX15
SCHEMBL9687134 0.82 BRD4 (0.50) BRD4SCN9AALDH1A1KDM4EALOX15
SCHEMBL9686559 0.81 BRD4 (0.49) BRD4SCN9AALDH1A1KDM4EALOX15
SCHEMBL9685812 0.80 BRD4 (0.51) BRD4SCN9AALDH1A1KDM4EALOX15
SCHEMBL9687801 0.80 BRD4 (0.57) BRD4SCN9AALDH1A1KDM4EALOX15
SCHEMBL9687662 0.79 BRD4 (0.53) BRD4SCN9AALDH1A1KDM4EALOX15
Hydrochloric Acid SCHEMBL9687303 0.78 BRD4 (0.49) BRD4SCN9AALDH1A1KDM4EALOX15
SCHEMBL9687665 0.78 BRD4 (0.49) BRD4SCN9AALDH1A1KDM4EALOX15
SCHEMBL9685904 0.78 BRD4 (0.49) BRD4SCN9AALDH1A1ALOX15MAPT
SCHEMBL10621775 0.77 CHRM1 (0.44) ALDH1A1SLC5A2MAPT

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 4 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
US-4902335-A Benzo-fused cyclic compounds NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1990-02-20 US disclosed
EP-0296416-A1 Benzo-anellated cyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1988-12-28 EP disclosed