SCHEMBL11222945

SCHEMBL11222945

O=S(=O)(O)c1cccc(NCc2cccc(Br)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
EGFR P00533 5/20 0.46
ERBB2 P04626 5/20 0.46
PARP1 P09874 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC4 P56524 1/20 0.42
MEF2D Q14814 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
MTOR P42345 1/20 0.40
CASR P41180 1/20 0.40
NTRK1 P04629 1/20 0.39

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
SCHEMBL11225790 0.87 PPARA (0.49) EGFRCYP19A1
SCHEMBL11228429 0.87 FFAR1 (0.59) FFAR1FFAR4EGFRERBB2HDAC8
SCHEMBL10431528 0.85 CA12 (0.51) FFAR1HDAC8HDAC6CASR
SCHEMBL11229762 0.84 MAPT (0.47) HDAC6CYP19A1
Ammonia Solution, Strong SCHEMBL10582019 0.84 CA12 (0.50) FFAR1HDAC8HDAC6CASR
SCHEMBL28709255 0.82 PRMT1 (0.53) FFAR1FFAR4
SCHEMBL29509788 0.82 HDAC8 (0.54) FFAR1FFAR4HDAC8HDAC6HDAC4
SCHEMBL10431526 0.82 HDAC8 (0.54) FFAR1FFAR4HDAC8HDAC6HDAC4
SCHEMBL11682265 0.80 FBP1 (0.48) CYP19A1CYP1A2CYP2D6CYP2C19
SCHEMBL11231088 0.80 FFAR1 (0.54) FFAR1FFAR4EGFRHDAC6CYP19A1

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