SCHEMBL7145387

SCHEMBL7145387

COc1cccc(C(=O)NCc2ccc([S+]([O-])N3CCC(NCc4c(C)cc(C)cc4C)CC3)s2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
CHRM1 P11229 2/20 0.42
HPGD P15428 2/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
WDR5 P61964 2/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
MMP13 P45452 1/20 0.39
EPHX2 P34913 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL7148150 0.87 CHRM1 (0.46) CHRM1HPGDCYP2C9CYP2C19ALDH1A1
SCHEMBL7143055 0.86 DRD4 (0.47) CHRM1DRD2DRD4MMP13
SCHEMBL7146835 0.85 SMN1; SMN2 (0.48) CYP2C19ALDH1A1TSHRUSP2MMP13
SCHEMBL7144914 0.85 KMT2A (0.48) LMNAHPGDCYP2C19ALDH1A1USP2
SCHEMBL7138079 0.84 ALDH1A1 (0.41) LMNACHRM1HPGDCYP2C9CYP2C19
SCHEMBL7147874 0.84 CCR2 (0.44) CHRM1ALDH1A1MMP13EPHX2
SCHEMBL7144671 0.84 MEN1 (0.44) CHRM1HPGDCYP2C9CYP2C19ALDH1A1
SCHEMBL7146066 0.83 MCHR1 (0.45) LMNAHPGDALDH1A1POLBMMP13
SCHEMBL7146457 0.83 CHRM1 (0.43) CHRM1HPGDCYP2C9CYP2C19ALDH1A1
SCHEMBL7145029 0.83 HPGD (0.42) LMNACHRM1HPGDCYP2C9CYP2C19

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-1322642-A2 sHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES BEARING BOTH LIPOPHILIC AND IONISABLE MOIETIES AS INHIBITORS OF PROTEIN JUNKINASES Applied Research Systems ARS Holding N.V. (AN) 2003-07-02 EP claimed
WO-2002026733-A2 sHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES BEARING BOTH LIPOPHILIC AND IONISABLE MOIETIES AS INHIBITORS OF PROTEIN JUNKINASES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2002-04-04 WO claimed