SCHEMBL8688441

SCHEMBL8688441

CSc1ccc(-c2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.47
CDK1 P06493 3/20 0.47
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA12 O43570 3/20 0.46
CA9 Q16790 3/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 2/20 0.44
PSMD14 O00487 1/20 0.44
RECQL P46063 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
MAPK9 P45984 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
SCHEMBL8691553 0.88 PTPN7 (0.54) CDK2CDK1CA1CA2CA12
SCHEMBL8640966 0.86 KMT2A (0.56) CDK2CDK1CA1CA2CA12
SCHEMBL8694108 0.85 CDK2 (0.64) CDK2CDK1CA1CA2CA12
SCHEMBL8642022 0.85 CDK2 (0.64) CDK2CDK1CA1CA2CA12
SCHEMBL8690975 0.85 KMT2A (0.57) CDK2CDK1CA1CA2CA12
SCHEMBL8688552 0.85 CDK2 (0.52) CDK2CDK1CA1CA2CA12
SCHEMBL8691753 0.83 CDK2 (0.66) CDK2CDK1CA1CA2CA12
SCHEMBL8688685 0.79 CDK2 (0.54) CDK2CDK1CA1CA2CA12
SCHEMBL8692528 0.79 CDK2 (0.54) CDK2CDK1CA1CA2CA12
SCHEMBL8732480 0.79 KMT2A (0.47) CDK2CDK1CA1CA2CA12

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-5760068-A NONSTEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G.D. SEARLE & CO. (US) 1998-06-02 US disclosed
US-5756529-A ANTIINFLAMMATORY G.D. SEARLE & CO. (US) 1998-05-26 US disclosed