SCHEMBL9686505

SCHEMBL9686505

O=C1COc2cc(F)c(N3C(=O)C4=C(CCCC4)C3F)cc2N1Cc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
SCN9A Q15858 4/20 0.41
ALDH1A1 P00352 3/20 0.38
ALOX15 P16050 1/20 0.38
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
OPRK1 P41145 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL9686618 0.91 PPOX (0.46) BRD4SCN9AALDH1A1ALOX15MAPT
SCHEMBL9685821 0.91 BRD4 (0.44) BRD4SCN9AALDH1A1ALOX15MAPT
Hydrochloric Acid SCHEMBL9686529 0.91 BRD4 (0.43) BRD4SCN9AALDH1A1ALOX15MAPT
SCHEMBL9687027 0.89 BRD4 (0.44) BRD4SCN9AALDH1A1ALOX15MAPT
SCHEMBL9686452 0.89 BRD4 (0.44) BRD4SCN9AALDH1A1ALOX15MAPT
SCHEMBL9686485 0.88 BRD4 (0.44) BRD4SCN9AALDH1A1ALOX15MAPT
SCHEMBL9685904 0.87 BRD4 (0.49) BRD4SCN9AALDH1A1ALOX15MAPT
SCHEMBL9869946 0.87 BRD4 (0.44) BRD4SCN9AALDH1A1ALOX15MAPT
SCHEMBL9687801 0.80 BRD4 (0.57) BRD4SCN9AALDH1A1ALOX15MAPT
SCHEMBL9686559 0.79 BRD4 (0.49) 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 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