SCHEMBL973165

SCHEMBL973165

CCN(CC)CC.O=S(=O)(O)C(F)(F)Cc1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDYL Q9Y232 1/20 0.43
KDM4E B2RXH2 2/20 0.41
NQO2 P16083 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
CA2 P00918 1/20 0.38
ACP3 P15309 1/20 0.38
SSTR4 P31391 1/20 0.36
NR3C1 P04150 1/20 0.35
NR3C2 P08235 1/20 0.35
MTNR1A P48039 1/20 0.35

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
SCHEMBL973166 1.00 CDYL (0.43) CDYLKDM4ENQO2CYP1A2CYP2D6
SCHEMBL384178 0.90 TDP1 (0.46) KDM4ENQO2CYP1A2CYP2D6CYP2C19
SCHEMBL30355311 0.90 TDP1 (0.46) KDM4ENQO2CYP1A2CYP2D6CYP2C19
SCHEMBL974523 0.89 TDP1 (0.45) KDM4ENQO2CYP1A2CYP2D6CYP2C19
SCHEMBL12308106 0.79 KDM4E (0.39) KDM4ENQO2CYP1A2CYP2C19TDP1
SCHEMBL17491049 0.79 NQO2 (0.44) KDM4ENQO2CYP1A2CYP2D6CYP2C19
SCHEMBL12039318 0.77 NQO2 (0.49) KDM4ENQO2CYP1A2CYP2C19TDP1
SCHEMBL29058341 0.76 MEN1 (0.42) NQO2CYP2D6CA2SSTR4NR3C1
SCHEMBL14111166 0.76 TDP1 (0.44) KDM4ENQO2CYP1A2CYP2D6CYP2C19
SCHEMBL974521 0.74 CA2 (0.44) NQO2CYP1A2CYP2D6CYP2C19TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7871761-B2 Resist lower layer material, resist lower layer substrate comprising the material and method for forming pattern SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-01-18 US disclosed
US-20080032231-A1 Resist lower layer material, resist lower layer substrate comprising the material and method for forming pattern SHIN-ETSU CHEMICAL CO., LTD. 2008-02-07 US disclosed