SCHEMBL11228429

SCHEMBL11228429

O=S(=O)(O)c1ccc(NCc2cccc(Br)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.59
FFAR4 Q5NUL3 1/20 0.59
CA2 P00918 4/20 0.48
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA9 Q16790 3/20 0.48
EGFR P00533 5/20 0.47
ERBB2 P04626 5/20 0.47
CYP19A1 P11511 1/20 0.47
ALOX12 P18054 1/20 0.44
TYMS P04818 1/20 0.44
ACHE P22303 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 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
SCHEMBL11222945 0.87 FFAR1 (0.51) FFAR1FFAR4EGFRERBB2CYP19A1
Ammonia Solution, Strong SCHEMBL5357111 0.85 CA1 (0.50) FFAR1FFAR4CA2CA12CA1
Ammonia Solution, Strong SCHEMBL5357120 0.85 CA1 (0.50) FFAR1FFAR4CA2CA12CA1
SCHEMBL17550639 0.82 FFAR1 (0.63) FFAR1FFAR4CA2CA12CA1
SCHEMBL10797507 0.82 NAMPT (0.53) CA2CA12CA1CA9CYP19A1
SCHEMBL11235511 0.82 FFAR1 (0.59) FFAR1CA2CA12CA1CA9
SCHEMBL11230387 0.82 MAPT (0.53) CA2CA12CA1CA9CYP19A1
SCHEMBL11226491 0.81 AGER (0.62) CA2CA12CA1CA9EGFR
SCHEMBL28709255 0.81 PRMT1 (0.53) FFAR1FFAR4CA2CA12CA1
SCHEMBL9189617 0.81 CA1 (0.70) FFAR1FFAR4CA2CA12CA1

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