SCHEMBL974523

SCHEMBL974523

O=S(=O)(O)C(F)(F)Cc1cccc2ccccc12.[NaH]

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
CA2 P00918 2/20 0.44
ACP3 P15309 1/20 0.44
NQO2 P16083 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MTNR1A P48039 1/20 0.39
CTNNB1 P35222 1/20 0.39
NPY1R P25929 1/20 0.39
NPY5R Q15761 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL30355311 0.98 TDP1 (0.46) TDP1CA2ACP3NQO2KDM4E
SCHEMBL384178 0.98 TDP1 (0.46) TDP1CA2ACP3NQO2KDM4E
SCHEMBL973166 0.89 CDYL (0.43) TDP1CA2ACP3NQO2KDM4E
SCHEMBL973165 0.89 CDYL (0.43) TDP1CA2ACP3NQO2KDM4E
SCHEMBL12308106 0.86 KDM4E (0.39) TDP1CA2ACP3NQO2KDM4E
SCHEMBL12039318 0.84 NQO2 (0.49) TDP1CA2ACP3NQO2KDM4E
SCHEMBL14111166 0.83 TDP1 (0.44) TDP1CA2ACP3NQO2KDM4E
SCHEMBL17491049 0.83 NQO2 (0.44) TDP1CA2ACP3NQO2KDM4E
SCHEMBL974521 0.81 CA2 (0.44) TDP1CA2ACP3NQO2CYP1A2
SCHEMBL29058341 0.80 MEN1 (0.42) CA2NQO2KMT2AMEN1NPY1R

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