SCHEMBL11215283

SCHEMBL11215283

CCOc1ccc2cc(S(=O)(=O)O)ccc2c1NC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 2/20 0.53
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 2/20 0.43
RORC P51449 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
STAT3 P40763 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
S1PR3 Q99500 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NT5E P21589 1/20 0.38
PRMT1 Q99873 1/20 0.38

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
SCHEMBL11209410 0.79 CASP6 (0.60) CASP6GAAALDH1A1CYP2C9CYP2C19
SCHEMBL4649672 0.78 CASP6 (0.50) CASP6LMNAALDH1A1CYP2C9CYP2C19
SCHEMBL30726816 0.78 CASP6 (0.50) CASP6LMNAALDH1A1CYP2C9CYP2C19
SCHEMBL7112143 0.78 ABCC9 (0.51) LMNAALDH1A1TDP1RORCHSD17B10
SCHEMBL30704480 0.78 ABCC9 (0.51) LMNAALDH1A1TDP1RORCHSD17B10
SCHEMBL12720517 0.77 CASP6 (0.46) CASP6LMNAALDH1A1CYP2C9CYP2C19
SCHEMBL11407377 0.75 CASP6 (0.51) CASP6GAAALDH1A1TDP1MAPT
SCHEMBL5081980 0.74 CASP6 (0.58) CASP6ALDH1A1TDP1CYP2C9CYP1A2
SCHEMBL7112439 0.73 KCNJ11 (0.71) CASP6
SCHEMBL10942538 0.71 ALDH1A1 (0.48) CASP6LMNAALDH1A1CYP2C9CYP2C19

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-0036143-B1 PROCESS FOR THE PRODUCTION OF 1-AMINO-2-ETHOXY-NAPHTHALENE-6-SULPHONIC ACID BAYER AG (DE) 1983-06-22 EP disclosed
US-4341719-A Process for the preparation of 1-amino-2-ethoxy-naphthalene-6-sulphonic acid BAYER AKTIENGESELLSCHAFT (DE) 1982-07-27 US disclosed
EP-0036143-A1 Process for the production of 1-amino-2-ethoxy-naphthalene-6-sulphonic acid BAYER AG (DE) 1981-09-23 EP disclosed