SCHEMBL7233377

SCHEMBL7233377

O=C(Nc1cc(C(=O)Nc2cccc3cc(S(=O)(=O)O)ccc23)cc(C(=O)Nc2cccc3cc(S(=O)(=O)O)ccc23)c1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 2/20 0.60
▸ FGF1 P05230 1/20 0.59
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ TIMP3 P35625 3/20 0.55
▸ APEX1 P27695 1/20 0.54
▸ RHOA P61586 1/20 0.49
▸ ING2 Q9H160 1/20 0.48
▸ ENPP2 Q13822 1/20 0.48
▸ PTGES O14684 1/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ ALOX5 P09917 1/20 0.46
▸ PRMT1 Q99873 1/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.46

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
SCHEMBL7224393 0.93 CASP6 (0.58) CASP6FGF1NPC1RAB9ACYP1A2
SCHEMBL7223574 0.93 FGF1 (0.60) CASP6FGF1NPC1RAB9ACYP1A2
SCHEMBL4119552 0.92 CASP6 (0.67) CASP6FGF1NPC1RAB9ACYP1A2
SCHEMBL7223972 0.91 FGF1 (0.63) CASP6FGF1NPC1RAB9ACYP1A2
SCHEMBL7224663 0.90 CASP6 (0.55) CASP6FGF1NPC1RAB9ACYP1A2
SCHEMBL6240628 0.90 CASP6 (0.72) CASP6FGF1NPC1RAB9ACYP1A2
SCHEMBL7230329 0.90 CASP6 (0.57) CASP6FGF1NPC1RAB9ACYP1A2
SCHEMBL7224369 0.90 CASP6 (0.57) CASP6FGF1NPC1RAB9ATIMP3
SCHEMBL7233109 0.90 FGF1 (0.59) CASP6FGF1NPC1RAB9ACYP1A2
SCHEMBL7233931 0.90 CASP6 (0.57) CASP6FGF1CYP1A2CYP3A4CYP2D6

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-6653321-B1 Stimulating kinase activity of insulin receptor; type II diabetes; hyperglycemia TELIK, INC. 2003-11-25 — — US disclosed
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