SCHEMBL4734710

SCHEMBL4734710

Cc1ccc2c(c1)C(=O)Cc1ccccc1S2

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.78
ALDH1A1 P00352 5/20 0.78
MEN1 O00255 5/20 0.78
HPGD P15428 3/20 0.78
KDM4E B2RXH2 2/20 0.78
HTT P42858 1/20 0.78
ATM Q13315 1/20 0.78
L3MBTL1 Q9Y468 2/20 0.68
LMNA P02545 1/20 0.68
MAPT P10636 1/20 0.68
BLM P54132 1/20 0.56
PTGS2 P35354 1/20 0.50
OPRK1 P41145 1/20 0.50
PDE4D Q08499 1/20 0.50
GPR84 Q9NQS5 1/20 0.41
GAA P10253 1/20 0.40
ELANE P08246 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
METAP1 P53582 1/20 0.38
PARP1 P09874 1/20 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
SCHEMBL2760354 0.88 KMT2A (0.73) KMT2AALDH1A1MEN1HPGDKDM4E
SCHEMBL3749553 0.81 ALDH1A1 (1.00) KMT2AALDH1A1MEN1HPGDKDM4E
SCHEMBL5644218 0.81 ALDH1A1 (0.73) KMT2AALDH1A1MEN1HPGDKDM4E
SCHEMBL5362218 0.81 HPGD (1.00) KMT2AALDH1A1MEN1HPGDKDM4E
SCHEMBL7136366 0.81 ALDH1A1 (1.00) KMT2AALDH1A1MEN1HPGDKDM4E
SCHEMBL563504 0.81 KMT2A (0.68) KMT2AALDH1A1MEN1HPGDKDM4E
SCHEMBL5640862 0.81 KMT2A (0.63) KMT2AALDH1A1MEN1HPGDKDM4E
SCHEMBL11707838 0.81 KMT2A (0.63) KMT2AALDH1A1MEN1HPGDKDM4E
SCHEMBL11751891 0.81 KMT2A (0.63) KMT2AALDH1A1MEN1HPGDKDM4E
SCHEMBL125602 0.80 ALDH1A1 (0.61) KMT2AALDH1A1MEN1HPGDKDM4E

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
WO-2008061029-A1 ARYL SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 WO disclosed
US-4045570-A Heterocyclic S-imino-S-oxides CIBA-GEIGY CORPORATION (US) 1977-08-30 US disclosed
US-4035385-A NEUROLEPTIC AGENTS, PROPYNYLAMINE-SUBSTITUTED HOFFMANN-LA ROCHE INC. (US) 1977-07-12 US disclosed
US-4035386-A NEUROLEPTIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1977-07-12 US disclosed
US-4005105-A NEUROLEPTIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1977-01-25 US disclosed