SCHEMBL9687665

SCHEMBL9687665

O=C1COc2cc(F)c(N=C=S)cc2N1Cc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
SCN9A Q15858 6/20 0.45
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 1/20 0.41
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
OPRK1 P41145 1/20 0.37
CHRM1 P11229 1/20 0.36

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
Hydrochloric Acid SCHEMBL9687303 0.90 BRD4 (0.49) BRD4SCN9AALDH1A1ALOX15MAPT
SCHEMBL9685790 0.81 BRD4 (0.53) BRD4SCN9AALDH1A1ALOX15MAPT
SCHEMBL9685812 0.79 BRD4 (0.51) BRD4SCN9AALDH1A1ALOX15MAPT
SCHEMBL9687541 0.78 BRD4 (0.50) BRD4SCN9AALDH1A1ALOX15MAPT
SCHEMBL9687801 0.78 BRD4 (0.57) BRD4SCN9AALDH1A1ALOX15MAPT
SCHEMBL9687662 0.78 BRD4 (0.53) BRD4SCN9AALDH1A1ALOX15MAPT
SCHEMBL9686559 0.77 BRD4 (0.49) BRD4SCN9AALDH1A1ALOX15MAPT
SCHEMBL8598841 0.77 CHRM1 (0.36) ALDH1A1TSHRCHRM1
SCHEMBL18497028 0.77 BRD4 (0.62) BRD4SCN9AALDH1A1ALOX15MAPT
SCHEMBL9685904 0.77 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