SCHEMBL9869946

SCHEMBL9869946

CC(=O)OC1C2=C(CCCC2)C(=O)N1c1cc2c(cc1F)OCC(=O)N2Cc1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
OPRK1 P41145 1/20 0.39
PPOX P50336 4/20 0.38
SCN9A Q15858 2/20 0.38
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 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
SCHEMBL9686452 0.90 BRD4 (0.44) BRD4ALDH1A1ALOX15OPRK1PPOX
SCHEMBL9686618 0.87 PPOX (0.46) BRD4ALDH1A1ALOX15OPRK1PPOX
SCHEMBL9686505 0.87 BRD4 (0.45) BRD4ALDH1A1ALOX15OPRK1SCN9A
SCHEMBL9685821 0.86 BRD4 (0.44) BRD4ALDH1A1ALOX15OPRK1PPOX
SCHEMBL9687027 0.85 BRD4 (0.44) BRD4ALDH1A1ALOX15OPRK1SCN9A
Hydrochloric Acid SCHEMBL9686529 0.85 BRD4 (0.43) BRD4ALDH1A1ALOX15OPRK1PPOX
SCHEMBL9686485 0.84 BRD4 (0.44) BRD4ALDH1A1ALOX15OPRK1SCN9A
SCHEMBL9685904 0.82 BRD4 (0.49) BRD4ALDH1A1ALOX15SCN9AMAPT
SCHEMBL9687801 0.76 BRD4 (0.57) BRD4ALDH1A1ALOX15SCN9ARXFP1
SCHEMBL9686559 0.74 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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