SCHEMBL4783124

SCHEMBL4783124

Cc1ccc2c(c1C(C)C)CCc1ccccc1S2

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
DRD2 P14416 4/20 0.30
PTGS2 P35354 1/20 0.30
OPRK1 P41145 1/20 0.30
PDE4D Q08499 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5695872 0.72 ALDH1A1 (0.43) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL4488551 0.72 ALDH1A1 (0.50) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL2048994 0.71 ALDH1A1 (0.39) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL4731236 0.68 ALDH1A1 (0.53) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL10588135 0.67 ADRA2A (0.41) ALDH1A1HPGDKDM4EDRD2LMNA
SCHEMBL8890449 0.65 KMT2A (0.53) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL13113527 0.65 MEN1 (0.57) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL1488973 0.65 HPGD (0.42) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL11430784 0.65 NOTUM (0.40) ALDH1A1HPGDKDM4EDRD2
SCHEMBL4495800 0.64 TSHR (0.52) MEN1KMT2AALDH1A1HPGDKDM4E

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 1 patent. 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