SCHEMBL11518491

SCHEMBL11518491

CCN(CC)c1cccc2cc(S(=O)(=O)O)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 3/20 0.51
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP2C9 P11712 3/20 0.42
HSD17B10 Q99714 3/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 3/20 0.41
HIF1A Q16665 2/20 0.41
TSHR P16473 2/20 0.41
PTPRA P18433 1/20 0.41
PTPRB P23467 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.41
RHOA P61586 1/20 0.41
NSD2 O96028 2/20 0.40

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
SCHEMBL11519718 0.86 CASP6 (0.43) CASP6ALDH1A1KDM4ETDP1MEN1
SCHEMBL18300795 0.83 CASP6 (0.55) CASP6ALDH1A1KDM4ETDP1MEN1
SCHEMBL11817172 0.76 ALDH1A1 (0.49) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL14201701 0.75 TTR (0.54) TDP1KMT2AL3MBTL1CYP2C19CYP1A2
SCHEMBL7037608 0.74 CASP6 (0.59) CASP6ALDH1A1KDM4ETDP1MEN1
SCHEMBL31255683 0.74 CASP6 (0.58) CASP6ALDH1A1KDM4ETDP1MEN1
SCHEMBL29889996 0.74 CASP6 (0.58) CASP6ALDH1A1KDM4ETDP1MEN1
SCHEMBL429785 0.74 CASP6 (0.58) CASP6ALDH1A1KDM4ETDP1MEN1
SCHEMBL11517888 0.74 TTR (0.44) ALDH1A1KDM4ETDP1MEN1MAPT
SCHEMBL11407377 0.73 CASP6 (0.51) CASP6ALDH1A1KDM4ETDP1MEN1

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
CN-108779356-A ink 富士胶片株式会社 2018-11-09 CN disclosed
US-4180503-A FOR DYEING POLYAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1979-12-25 US disclosed
US-4124581-A FOR NATURAL AND SYNTHETIC FIBERS, COLORFAST BAYER AKTIENGESELLSCHAFT (DE) 1978-11-07 US disclosed