SCHEMBL9250339

SCHEMBL9250339

CCCCCCCCCCCCc1ccc(S(=O)(=O)[O-])cc1.N#Cc1cc[n+](Cc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
HSD17B10 Q99714 1/20 0.48
KCNH2 Q12809 2/20 0.41
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
HIF1A Q16665 1/20 0.41
CA2 P00918 4/20 0.41
CNR2 P34972 1/20 0.38
CHKA P35790 2/20 0.38
LSS P48449 1/20 0.38
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
AKT1 P31749 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 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
SCHEMBL9248782 0.91 TSHR (0.51) TSHRHSD17B10KCNH2LMNACYP2D6
SCHEMBL9249583 0.89 TSHR (0.45) TSHRHSD17B10KCNH2LMNACYP2D6
Cetylpyridinium SCHEMBL2641632 0.78 RAD52 (0.53) TSHRKCNH2LMNACYP2D6CYP2C9
SCHEMBL27641649 0.77 CA2 (0.54) TSHRKCNH2LMNACYP2D6CYP2C9
SCHEMBL28417025 0.77 CA2 (0.54) TSHRKCNH2LMNACYP2D6CYP2C9
Lithium Ion SCHEMBL28621062 0.77 CA2 (0.54) TSHRKCNH2LMNACYP2D6CYP2C9
SCHEMBL5298655 0.77 KCNH2 (0.54) HSD17B10KCNH2LMNAHTTHIF1A
SCHEMBL5283707 0.77 KCNH2 (0.54) HSD17B10KCNH2LMNAHTTHIF1A
SCHEMBL5816940 0.77 KCNH2 (0.54) HSD17B10KCNH2LMNAHTTHIF1A
SCHEMBL5299378 0.77 KCNH2 (0.54) HSD17B10KCNH2LMNAHTTHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0385504-B1 Heat-latent curing catalyst and resin compositions containing the same NIPPON PAINT CO LTD (JP) 1995-10-04 EP disclosed
US-5066722-A Quaternary ammonium sulfonates, hydroxy containing resins, polesters, polylactones, epoxy resins, acrylic resins NIPPON PAINT CO., LTD. (JP) 1991-11-19 US disclosed
EP-0385504-A1 Heat-latent curing catalyst and resin compositions containing the same NIPPON PAINT CO., LTD. (JP) 1990-09-05 EP disclosed