SCHEMBL9865883

SCHEMBL9865883

CC[n+]1ccc(C)cc1.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.43

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 5/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
MAPK1 P28482 1/20 0.42
THPO P40225 1/20 0.42
HSD17B10 Q99714 1/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL10549634 0.90 LMNA (0.45) GAAALDH1A1KDM4EMAPTLMNA
SCHEMBL2943216 0.89 LMNA (0.43) GAAALDH1A1KDM4EMAPTLMNA
SCHEMBL4625614 0.87 CYP2A6 (0.44) GAAALDH1A1KDM4EMAPTLMNA
SCHEMBL7621560 0.87 KDM4E (0.46) GAAALDH1A1KDM4EMAPTLMNA
SCHEMBL29251851 0.86 HTT (0.44) GAAALDH1A1KDM4ELMNACYP3A4
Sulfuric Acid SCHEMBL21195058 0.86 HTT (0.44) GAAALDH1A1KDM4EMAPTLMNA
SCHEMBL143552 0.86 MAPT (0.46) GAAALDH1A1KDM4EMAPTLMNA
Sulfuric Acid SCHEMBL21195059 0.85 HTT (0.42) GAAALDH1A1KDM4EMAPTLMNA
SCHEMBL2639726 0.84 HTT (0.58) LMNACYP2D6CYP2C9CYP2C19HTT
SCHEMBL2150381 0.84 ALDH1A1 (0.44) GAAALDH1A1KDM4EMAPTLMNA

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-5003077-A Having a cycloheptimidazole nucleus; photostability; methine bond having an auxochrome FUJI PHOTO FILM CO., LTD. (JP) 1991-03-26 US disclosed