SCHEMBL1868592

SCHEMBL1868592

Nc1cccc(-c2cscn2)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.40
MPL P40238 3/20 0.39
CASP6 P55212 1/20 0.38
IDO1 P14902 5/20 0.36
TDO2 P48775 3/20 0.35
METAP2 P50579 4/20 0.34
METAP1 P53582 3/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
FKBP1A P62942 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 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
SCHEMBL1800346 0.82 ALDH1A1 (0.46) SCN9AIDO1TDO2METAP2METAP1
SCHEMBL20723607 0.79 TSHR (0.43) SCN9AIDO1TDO2METAP2METAP1
Hydrochloric Acid SCHEMBL6765946 0.79 ALDH1A1 (0.43) SCN9AIDO1TDO2METAP2METAP1
Bromide SCHEMBL7959477 0.79 ALDH1A1 (0.43) SCN9AIDO1TDO2METAP2METAP1
SCHEMBL4082911 0.76 MAPK1 (0.41) SCN9ACASP6IDO1TDO2HCRTR1
SCHEMBL10151023 0.74 MPL (0.50) SCN9AMPLCASP6IDO1TDO2
SCHEMBL28363719 0.72 CD44 (0.39) SCN9AIDO1TDO2METAP2METAP1
SCHEMBL28360058 0.72 SCN9A (0.37) SCN9AIDO1TDO2METAP2METAP1
SCHEMBL8166926 0.72 ALDH1A1 (0.50) MPLKDM4ECYP3A4TSHRSMN1; SMN2
SCHEMBL14754342 0.71 CASP6 (0.48) SCN9ACASP6IDO1TDO2METAP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024227104-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BRAF VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2024-10-31 WO disclosed
EP-2498608-A1 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS GlaxoSmithKline LLC (US) 2012-09-19 EP disclosed
WO-2011059610-A1 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-05-19 WO disclosed