SCHEMBL3182762

SCHEMBL3182762

CC(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=S(=O)([O-])c1ccccc1

nearest known ligand 0.40

Known targets — ChEMBL curated mechanism

CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.40
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
POLB P06746 2/20 0.39
NSD2 O96028 1/20 0.39
ATM Q13315 1/20 0.39
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
MCL1 Q07820 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CNR1 P21554 2/20 0.37
CHRM2 P08172 3/20 0.37
CHRM1 P11229 3/20 0.37

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
SCHEMBL3197499 0.92 CNR2 (0.50) CNR2MAPTALDH1A1KDM4ELMNA
SCHEMBL3192208 0.87 HSD11B1 (0.43) CNR2MAPTALDH1A1LMNAGAA
SCHEMBL4866419 0.85 BCHE (0.49) CNR2MAPTALDH1A1KDM4ELMNA
Trifluoromethanesulfonic Acid SCHEMBL3192025 0.84 GPR3 (0.39) CNR2MAPTALDH1A1KDM4ELMNA
SCHEMBL5408783 0.84 NPSR1 (0.44) ALDH1A1LMNAGAAKMT2AMEN1
SCHEMBL137132 0.84 HTR6 (0.46) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL425900 0.84 USP5 (0.38) CNR2MAPTALDH1A1KDM4EGAA
SCHEMBL29967874 0.84 USP5 (0.38) CNR2MAPTALDH1A1KDM4EGAA
SCHEMBL5412191 0.83 KAT6A (0.38) CNR2MAPTALDH1A1KDM4ELMNA
SCHEMBL7738088 0.81 CA12 (0.41) ALDH1A1POLBCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8206888-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2012-06-26 US disclosed
US-20100028800-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2010-02-04 US disclosed
EP-1953593-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2008-08-06 EP disclosed
US-7060414-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-06-13 US disclosed
US-20050158657-A1 Radiation-sensitive resin composition SUZUKI AKI (JP) 2005-07-21 US disclosed
US-6899989-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2005-05-31 US disclosed
US-20020090569-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2002-07-11 US disclosed