SCHEMBL7006953

SCHEMBL7006953

Nc1ccccc1SC(F)(F)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
APOBEC3G Q9HC16 1/20 0.50
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.38
ALOX15 P16050 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
LMNA P02545 3/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 5/20 0.36
MAP2K1 Q02750 2/20 0.35
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35

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
SCHEMBL10602334 0.84 ALDH1A1 (0.33) MAPTMEN1KMT2ANPSR1APOBEC3G
SCHEMBL29549836 0.82 MAPT (0.54) MAPTMEN1KMT2ANPSR1APOBEC3G
SCHEMBL2197151 0.82 MAPT (0.54) MAPTMEN1KMT2ANPSR1APOBEC3G
SCHEMBL398169 0.82 MAPT (0.54) MAPTMEN1KMT2ANPSR1APOBEC3G
SCHEMBL6863388 0.73 KMT2A (0.54) MAPTMEN1KMT2ANPSR1APOBEC3G
SCHEMBL3096171 0.72 KMT2A (0.43) MAPTMEN1KMT2ANPSR1APOBEC3G
SCHEMBL16657271 0.71 MEN1 (0.52) MAPTMEN1KMT2ANPSR1APOBEC3G
SCHEMBL4603037 0.71 LMNA (0.33) MAPTLMNA
SCHEMBL19557713 0.70 MEN1 (0.50) MAPTMEN1KMT2ANPSR1APOBEC3G
SCHEMBL19557730 0.70 MEN1 (0.50) MAPTMEN1KMT2ANPSR1APOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6175042-B1 A CHEMICAL INTERMEDIATE FOR AGROCHEMICALS, PHARMACEUTICALS, DYES, AND POLYMERS BAYER AKTIENGESELLSCHAFT (DE) 2001-01-16 US claimed
EP-0962450-A1 Process for the preparation of perfluoalkylaryl sulfides and perfluoroalkylaryl sulfides per se Bayer Aktiengesellschaft (DE) 1999-12-08 EP claimed
EP-0962450-B1 Process for the preparation of perfluoalkylaryl sulfides BAYER AG (DE) 2003-01-08 EP disclosed
US-6175042-B1 A CHEMICAL INTERMEDIATE FOR AGROCHEMICALS, PHARMACEUTICALS, DYES, AND POLYMERS BAYER AKTIENGESELLSCHAFT (DE) 2001-01-16 US disclosed
US-6175042-B1 A CHEMICAL INTERMEDIATE FOR AGROCHEMICALS, PHARMACEUTICALS, DYES, AND POLYMERS BAYER AKTIENGESELLSCHAFT (DE) 2001-01-16 US disclosed
EP-0962450-A1 Process for the preparation of perfluoalkylaryl sulfides and perfluoroalkylaryl sulfides per se Bayer Aktiengesellschaft (DE) 1999-12-08 EP disclosed
EP-0962450-A1 Process for the preparation of perfluoalkylaryl sulfides and perfluoroalkylaryl sulfides per se Bayer Aktiengesellschaft (DE) 1999-12-08 EP disclosed