SCHEMBL7477161

SCHEMBL7477161

CC(=O)C(C)CSc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
SDCBP O00560 2/20 0.47
SDC2 P34741 2/20 0.47
TSHR P16473 1/20 0.44
CYP2C19 P33261 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
TEAD1 P28347 1/20 0.42
YAP1 P46937 1/20 0.42
TEAD4 Q15561 1/20 0.42
TEAD2 Q15562 1/20 0.42
FKBP1A P62942 1/20 0.42
BRD4 O60885 1/20 0.42
CYP2C9 P11712 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 3/20 0.41

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
SCHEMBL17131545 0.84 HPGD (0.49) HPGDKDM4EMTNR1AMTNR1BFKBP1A
SCHEMBL1496584 0.81 HPGD (0.47) HPGDSDCBPSDC2TSHRCYP2C19
SCHEMBL11271675 0.78 MTNR1A (0.71) HPGDSDCBPSDC2TSHRCYP2C19
SCHEMBL16485029 0.78 PPARD (0.43) CYP2C19CYP1A2CYP2D6MTNR1AMTNR1B
SCHEMBL11271948 0.77 HPGD (0.46) HPGDSDCBPSDC2TSHRCYP2C19
SCHEMBL11271943 0.77 HPGD (0.46) HPGDSDCBPSDC2TSHRCYP2C19
SCHEMBL3972663 0.77 MC4R (0.46) HPGDSDCBPSDC2KMT2AALDH1A1
SCHEMBL8258989 0.77 HPGD (0.50) HPGDSDCBPSDC2TSHRCYP2C19
SCHEMBL13235901 0.76 SLC6A2 (0.53) CYP2C19CYP1A2CYP2D6BRD4CYP2C9
SCHEMBL11242882 0.76 SLC6A2 (0.53) CYP2C19CYP1A2CYP2D6BRD4CYP2C9

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
EP-1228066-A2 SULFONAMIDE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2002-08-07 EP disclosed
WO-2001032646-A2 SULFONAMIDE DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-10 WO disclosed