SCHEMBL8112005

SCHEMBL8112005

COc1c(C(=O)O)cc(S(=O)(=O)N(C)C)c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 6/20 0.68
BCL2L1 Q07817 2/20 0.44
FABP4 P15090 7/20 0.44
FABP5 Q01469 6/20 0.44
CYP2C9 P11712 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
PDE10A Q9Y233 1/20 0.40
CDC25B P30305 1/20 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
SCHEMBL9054177 0.88 MCL1 (0.60) MCL1BCL2L1FABP4FABP5CYP2C9
SCHEMBL8356540 0.88 MCL1 (0.56) MCL1BCL2L1FABP4FABP5CYP2C9
SCHEMBL9110910 0.83 MCL1 (0.54) MCL1BCL2L1FABP4FABP5CYP2C9
SCHEMBL9111493 0.82 MCL1 (0.56) MCL1BCL2L1FABP4FABP5CYP2C9
SCHEMBL30076571 0.81 MCL1 (1.00) MCL1BCL2L1CYP2C9HSD17B10HPGD
SCHEMBL18392411 0.81 MCL1 (1.00) MCL1BCL2L1CYP2C9HSD17B10HPGD
SCHEMBL9056913 0.76 CYP1A1 (0.49) MCL1BCL2L1FABP4FABP5CYP2C9
SCHEMBL30076600 0.76 MCL1 (1.00) MCL1BCL2L1ALDH1A1
SCHEMBL18392242 0.76 MCL1 (1.00) MCL1BCL2L1ALDH1A1
SCHEMBL28981270 0.76 MCL1 (0.66) MCL1FABP4FABP5CYP2C9HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861252-B1 NAPHTHAMIDE DERIVATIVES OF 3 BETA-AMINO AZABICYCLO OCTANE OR NONANE AS NEUROLEPTIC AGENTS PF MEDICAMENT (FR) 2000-02-23 EP disclosed
EP-0944314-A1 METHYL SUBSTITUTED FUNGICIDES AND ARTHROPODICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-09-29 EP disclosed
US-5958945-A PSYCHOLOGICAL DISORDERS PIERRE FABRE MEDICAMENT (FR) 1999-09-28 US disclosed
WO-1998023156-A1 METHYL SUBSTITUTED FUNGICIDES AND ARTHROPODICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-06-04 WO disclosed
WO-1995010504-A1 2-(1-ALKOXY-2-NAPHTHALENYL)-PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINE D3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-04-20 WO disclosed