SCHEMBL11227174

SCHEMBL11227174

O=S(=O)(O)c1cccc(NCc2ccc(F)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.49
VNN1 O95497 1/20 0.46
RAB9A P51151 1/20 0.46
STING1 Q86WV6 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CYP19A1 P11511 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
SCHEMBL10431528 0.86 CA12 (0.51) CA12CA1CA2CA9
SCHEMBL11235049 0.85 CA12 (0.52) RAB9ACA12CA1CA2CA9
SCHEMBL11223157 0.85 CA1 (0.49) PPARACA12CA1CA2CA9
SCHEMBL11225790 0.85 PPARA (0.49) PPARARAB9ACA12CA1CA2
Ammonia Solution, Strong SCHEMBL10582019 0.85 CA12 (0.50) CA12CA1CA2CA9
SCHEMBL11231951 0.82 NPC1 (0.46) PPARARAB9ACA12CA1CA2
SCHEMBL11235074 0.81 PTPRF (0.61) CA1CA2CYP19A1
SCHEMBL6692354 0.81 PPARA (0.54) PPARASTING1
SCHEMBL11204141 0.80 CA1 (0.53) PPARASTING1CA12CA1CA2
SCHEMBL11233290 0.80 MEN1 (0.52)

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
US-4328244-A ANTIVIRAL AGENT THE DOW CHEMICAL COMPANY (US) 1982-05-04 US disclosed