SCHEMBL10891550

SCHEMBL10891550

CCN(CC)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.59
CDK1 P06493 1/20 0.59
CCNB1 P14635 1/20 0.59
CCNA2 P20248 1/20 0.59
CDK2 P24941 1/20 0.59
CDK7 P50613 1/20 0.59
CCNH P51946 1/20 0.59
CCNA1 P78396 1/20 0.59
FFAR4 Q5NUL3 1/20 0.59
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
TCF4 P15884 1/20 0.53
CTNNB1 P35222 1/20 0.53
LMNA P02545 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 1/20 0.53
ALDH1A1 P00352 7/20 0.52
CNR2 P34972 1/20 0.52

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
SCHEMBL10892304 0.89 ALDH1A1 (0.66) FFAR4LMNASMN1; SMN2HTTALDH1A1
SCHEMBL10383874 0.86 PGR (0.59) CA12CA1CA2CA9LMNA
SCHEMBL17166988 0.84 LMNA (0.49) FFAR1CDK1CCNB1CCNA2CDK2
SCHEMBL8930956 0.82 ALDH1A1 (0.72) FFAR1CA12CA1CA2CA9
SCHEMBL14877794 0.82 CA12 (0.76) FFAR1CDK1CCNB1CCNA2CDK2
SCHEMBL9480276 0.81 CA12 (0.65) FFAR1CDK1CCNB1CCNA2CDK2
SCHEMBL11059743 0.80 PGR (0.55) CA12CA1CA2CA9LMNA
SCHEMBL8713187 0.79 NR3C1 (0.52) LMNASMN1; SMN2HTTALDH1A1MAPT
SCHEMBL29407201 0.79 NR3C1 (0.68) LMNASMN1; SMN2HTTALDH1A1MAPK1
SCHEMBL5945125 0.79 NR3C1 (0.68) LMNASMN1; SMN2HTTALDH1A1MAPK1

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
US-4582897-A 2-AZO-4-SULFO-4-METHYLDIPHENYL SULFONE DERIVATIVES CIBA-GEIGY CORPORATION (US) 1986-04-15 US disclosed
EP-0132920-A1 Monoazo dye IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-02-13 EP disclosed
US-4373102-A Isoindoline dyes, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 1983-02-08 US disclosed