SCHEMBL7534349

SCHEMBL7534349

O=C(Nc1ccc2ccccc2c1)c1sccc1NS(=O)(=O)c1ccccc1.O=C(O)c1sccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.53
LMNA P02545 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
GPR27 Q9NS67 2/20 0.50
AKR1C3 P42330 1/20 0.49
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
ATM Q13315 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP3A4 P08684 1/20 0.43
PTGS1 P23219 1/20 0.43
MCL1 Q07820 1/20 0.43
CASP3 P42574 1/20 0.42

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
SCHEMBL7534407 0.97 LMNA (0.56) ACLYLMNASMN1; SMN2GPR27AKR1C3
SCHEMBL2747035 0.86 ACLY (0.62) ACLYLMNASMN1; SMN2AKR1C3MEN1
SCHEMBL7538859 0.85 ACLY (0.53) ACLYMEN1KMT2AMCL1CASP3
SCHEMBL7535073 0.83 MAPT (0.55) ACLYLMNASMN1; SMN2MEN1KMT2A
SCHEMBL7533688 0.83 PABPC1 (0.56) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL7532022 0.83 HPGD (0.57) ACLYSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL7537204 0.82 MAPT (0.51) ACLYGPR27MEN1KMT2AALDH1A1
SCHEMBL7537030 0.82 MAPT (0.53) ACLYLMNASMN1; SMN2GPR27MEN1
SCHEMBL7533516 0.82 HTT (0.50) ACLYLMNASMN1; SMN2GPR27MEN1
SCHEMBL532975 0.82 ACLY (0.69) ACLYLMNAMEN1KMT2AALDH1A1

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-2002028353-A2 PHOSPHATE TRANSPORT INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-11 WO disclosed