SCHEMBL9686482

SCHEMBL9686482

O=C1COc2cc(F)c(-n3nc4c(c3Cl)CCCC4)cc2N1Cc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
SCN9A Q15858 4/20 0.40
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TSHR P16473 2/20 0.36
MAPT P10636 1/20 0.36
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
OPRK1 P41145 1/20 0.35
KMO O15229 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL9835748 0.83 RORC (0.37)
SCHEMBL9685904 0.82 BRD4 (0.49) BRD4SCN9AALDH1A1ALOX15TSHR
SCHEMBL9834803 0.81 MEN1 (0.35) TSHRMEN1KMT2ANPSR1
SCHEMBL6862020 0.81 RAB9A (0.32) MEN1KMT2ANPSR1
SCHEMBL9686559 0.79 BRD4 (0.49) BRD4SCN9AALDH1A1ALOX15KDM4E
SCHEMBL9687801 0.78 BRD4 (0.57) BRD4SCN9AALDH1A1ALOX15KDM4E
SCHEMBL9685821 0.76 BRD4 (0.44) BRD4SCN9AALDH1A1ALOX15KDM4E
SCHEMBL9686505 0.76 BRD4 (0.45) BRD4SCN9AALDH1A1ALOX15KDM4E
SCHEMBL9685790 0.76 BRD4 (0.53) BRD4SCN9AALDH1A1ALOX15KDM4E
SCHEMBL9687535 0.76 BRD4 (0.43) BRD4SCN9AALDH1A1ALOX15KDM4E

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