SCHEMBL9009130

SCHEMBL9009130

O=C(O)c1ccc([S+]([O-])c2cccc(C(=O)O)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA6 P23280 1/20 0.46
CA9 Q16790 1/20 0.46
TSHR P16473 2/20 0.45
DAO P14920 1/20 0.45
NAPRT Q6XQN6 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
SRD5A2 P31213 1/20 0.44
TP53 P04637 2/20 0.43
HPGD P15428 2/20 0.43
KMO O15229 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP1A2 P05177 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
UNG P13051 1/20 0.42

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
SCHEMBL1447598 0.93 CA12 (0.52) CA1CA2CA12CA6CA9
SCHEMBL506129 0.87 TSHR (0.54) CA1CA2CA12CA6CA9
SCHEMBL2573166 0.84 TSHR (0.60) CA1CA2CA12CA6CA9
SCHEMBL9134580 0.82 TSHR (0.57) CA1CA2CA12CA6CA9
SCHEMBL9132486 0.82 TSHR (0.57) CA1CA2CA12CA6CA9
SCHEMBL9133716 0.82 TSHR (0.57) CA1CA2CA12CA6CA9
SCHEMBL9132801 0.82 TSHR (0.57) CA1CA2CA12CA6CA9
SCHEMBL28741311 0.80 ATM (0.61) SRD5A2HPGDHSD17B10MEN1KMT2A
SCHEMBL835559 0.78 CA12 (0.48) CA1CA2CA12CA6CA9
Benzoic Acid SCHEMBL27511072 0.78 TSHR (0.41) CA1CA2CA12CA6CA9

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-5534614-A Method for the preparation of amide oligomers and polybenzazole polymers therefrom THE DOW CHEMICAL COMPANY (US) 1996-07-09 US disclosed
US-5322916-A Method for the preparation of amide oligomers and polybenzazole polymers therefrom THE DOW CHEMICAL COMPANY (US) 1994-06-21 US disclosed