SCHEMBL9249583

SCHEMBL9249583

CCCCCCCCCCCCc1ccc(S(=O)(=O)[O-])cc1.COc1ccc(C[n+]2ccc(C#N)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
KCNH2 Q12809 1/20 0.39
HIF1A Q16665 1/20 0.39
CA2 P00918 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ALOX5 P09917 1/20 0.37
CNR2 P34972 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36

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
SCHEMBL9250339 0.89 TSHR (0.48) TSHRHSD17B10LMNACYP2D6CYP2C9
SCHEMBL9248782 0.89 TSHR (0.51) TSHRHSD17B10LMNACYP2D6CYP2C9
SCHEMBL9871410 0.78 MAOB (0.56) MAOAMAOBPOLBMAPTCHKA
SCHEMBL2956169 0.77 CA2 (0.49) TSHRLMNACYP2D6CYP2C9CYP2C19
SCHEMBL2966037 0.77 CA2 (0.49) TSHRLMNACYP2D6CYP2C9CYP2C19
SCHEMBL6847523 0.76 CA2 (0.46) TSHRLMNACYP2D6CYP2C9CYP2C19
Fluoride Ion SCHEMBL4461520 0.76 MAOB (0.54) MAOAMAOBPOLBMAPTCHKA
Fluoride Ion SCHEMBL4075135 0.76 MAOB (0.54) MAOAMAOBPOLBMAPTCHKA
SCHEMBL10567002 0.73 TSHR (0.60) TSHRHSD17B10MAOAMAOBALOX5
SCHEMBL30388893 0.73 CA2 (0.64) TSHRHSD17B10LMNACYP2D6CYP2C9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3020261-A None JP disclosed
EP-0385504-B1 Heat-latent curing catalyst and resin compositions containing the same NIPPON PAINT CO LTD (JP) 1995-10-04 EP disclosed
JP-H0320261-A NEW BENZYLPYRIDINIUM SALT NIPPON PAINT CO LTD 1991-01-29 JP disclosed
EP-0385504-A1 Heat-latent curing catalyst and resin compositions containing the same NIPPON PAINT CO., LTD. (JP) 1990-09-05 EP disclosed