SCHEMBL9229131

SCHEMBL9229131

O=[N+]([O-])c1ccc2sc[n+](CCCS(=O)(=O)O)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ ACP1 P24666 2/20 0.38
▸ HPGD P15428 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ CA2 P00918 1/20 0.34
▸ CA5A P35218 1/20 0.34
▸ PDK1 Q15118 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ CYP2C19 P33261 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32

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
SCHEMBL8641066 0.76 ALDH1A1 (0.46) SMN1; SMN2POLBRXFP1HPGDMAPT
SCHEMBL5706405 0.74 CYP2C19 (0.35) HPGDMAPTCYP2C19ALDH1A1
SCHEMBL9131663 0.73 HPGD (0.33) HPGDMAPT
SCHEMBL9226423 0.72 MAPT (0.37) SMN1; SMN2HPGDMAPTCYP2C19PKM
SCHEMBL5685076 0.71 HPGD (0.38) SMN1; SMN2POLBHPGDMAPTPKM
SCHEMBL24407433 0.64 GPR35 (0.46) SMN1; SMN2ACP1HPGDCA2CA5A
SCHEMBL1530461 0.64 CYP1A2 (0.45) SMN1; SMN2ACP1HPGDCA2CA5A
SCHEMBL1530458 0.64 CYP1A2 (0.45) SMN1; SMN2ACP1HPGDCA2CA5A
SCHEMBL24407432 0.62 TSHR (0.53) HPGDCA2CA5ACYP2C19CYP1A2
SCHEMBL11320744 0.62 S1PR4 (0.44) POLBCA2CA5ACYP2C19CYP1A2

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
EP-0678774-A2 Deposition sensitized emulsions EASTMAN KODAK COMPANY (US) 1995-10-25 — — EP disclosed
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