SCHEMBL9687026

SCHEMBL9687026

CCOC(=O)N1CC=CCN1C(=O)Nc1cc2c(cc1F)OCC(=O)N2Cc1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 1/20 0.42
POLB P06746 1/20 0.40
SCN9A Q15858 5/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
OPRK1 P41145 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL9685812 0.77 BRD4 (0.51) BRD4ALDH1A1ALOX15POLBSCN9A
SCHEMBL10844388 0.74 POLB (0.38) ALDH1A1POLBKDM4EMEN1KMT2A
SCHEMBL9687801 0.73 BRD4 (0.57) BRD4ALDH1A1ALOX15SCN9ARXFP1
SCHEMBL9685790 0.72 BRD4 (0.53) BRD4ALDH1A1ALOX15SCN9ARXFP1
SCHEMBL9687662 0.71 BRD4 (0.53) BRD4ALDH1A1ALOX15SCN9ATSHR
SCHEMBL9687541 0.69 BRD4 (0.50) BRD4ALDH1A1ALOX15SCN9ARXFP1
SCHEMBL9686559 0.68 BRD4 (0.49) BRD4ALDH1A1ALOX15SCN9ARXFP1
SCHEMBL9685904 0.68 BRD4 (0.49) BRD4ALDH1A1ALOX15SCN9ATSHR
SCHEMBL9687665 0.68 BRD4 (0.49) BRD4ALDH1A1ALOX15SCN9ARXFP1
Hydrochloric Acid SCHEMBL9687303 0.68 BRD4 (0.49) BRD4ALDH1A1ALOX15SCN9ARXFP1

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