SCHEMBL9754322

SCHEMBL9754322

COC(=O)c1cccc(C(C)F)c1.O=S(=O)(Cl)Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
TSHR P16473 1/20 0.43
CYP4F2 P78329 1/20 0.43

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
SCHEMBL9522934 0.92 TSHR (0.50) POLBCA12CA1CA2CA9
SCHEMBL698948 0.84 TSHR (0.52) POLBCA12CA1CA2CA9
SCHEMBL84441 0.79 TSHR (0.53) POLBLOXL2RAB9AMAPTNPC1
SCHEMBL27403802 0.78 KMT2A (0.60) POLBCA12CA1CA2CA9
SCHEMBL26453761 0.78 TSHR (0.52) POLBCA12CA1CA2CA9
SCHEMBL246026 0.78 TSHR (0.52) POLBCA12CA1CA2CA9
SCHEMBL26453747 0.78 TSHR (0.52) POLBCA12CA1CA2CA9
SCHEMBL10609523 0.78 TSHR (0.52) POLBCA12CA1CA2CA9
SCHEMBL28346938 0.77 HDAC4 (0.51) POLBCA12CA1CA2CA9
SCHEMBL1787505 0.77 HDAC4 (0.51) POLBCA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991015478-A1 CROP-SELECTIVE HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-17 WO disclosed