SCHEMBL8097830

SCHEMBL8097830

CS(C)=Nc1c(F)cccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
GAA P10253 6/20 0.35
MAPT P10636 2/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAT2A P31153 1/20 0.33
KCNH2 Q12809 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL8105795 0.85 ACHE (0.35) ALDH1A1
SCHEMBL8097763 0.85 CYP1A2 (0.38) MEN1KMT2AMAPTCYP1A2TDP1
SCHEMBL10387393 0.72 MEN1 (0.43) TAAR1MEN1KMT2AGAAMAPT
SCHEMBL8155665 0.72 TAAR1 (0.41) TAAR1MEN1KMT2AGAACYP1A2
SCHEMBL27214925 0.68 KMT2A (0.43) TAAR1MEN1KMT2AGAAMAPT
SCHEMBL27231035 0.68 KMT2A (0.43) TAAR1MEN1KMT2AGAAMAPT
SCHEMBL3842933 0.68 TAAR1 (0.38) TAAR1MEN1KMT2AGAAMAPT
SCHEMBL158972 0.68 GABRA1 (0.46) TAAR1MEN1KMT2AGAACYP1A2
SCHEMBL29812934 0.68 GABRA1 (0.46) TAAR1MEN1KMT2AGAACYP1A2
SCHEMBL29648809 0.68 GABRA1 (0.47) TAAR1MEN1KMT2AGAAMAPT

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-6114580-A N-arylsulfilimine compounds and their use as catalysts in the preparation of N-arylarylsulfonamide compounds DOW AGROSCIENCES LLC (US) 2000-09-05 US disclosed
US-5973148-A N-arylsulfilimine compounds and their use as catalysts in the preparation of N-arylarylsulfonamide compounds DOW AGROSCIENCES LLC (US) 1999-10-26 US disclosed