SCHEMBL7143055

SCHEMBL7143055

COc1cccc(C(=O)NCc2ccc([S+]([O-])N3CCC(NCc4ccc(Cl)cc4)CC3)s2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.47
DRD2 P14416 3/20 0.44
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
PMP22 Q01453 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CXCR3 P49682 1/20 0.41
MCHR1 Q99705 2/20 0.41
RAB9A P51151 1/20 0.41
MMP13 P45452 2/20 0.41
CHRM1 P11229 1/20 0.40

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
SCHEMBL7146510 0.89 SENP5 (0.42) MAPTMEN1KMT2ATP53SMN1; SMN2
SCHEMBL7146066 0.88 MCHR1 (0.45) MAPTMEN1KMT2ASMN1; SMN2MCHR1
SCHEMBL7146835 0.88 SMN1; SMN2 (0.48) MAPTCYP1A2CYP3A4MEN1KMT2A
SCHEMBL7148150 0.87 CHRM1 (0.46) MCHR1MMP13CHRM1
SCHEMBL7147874 0.87 CCR2 (0.44) MMP13CHRM1
SCHEMBL7146457 0.86 CHRM1 (0.43) DRD4SMN1; SMN2MCHR1RAB9AMMP13
SCHEMBL7145387 0.86 LMNA (0.45) DRD4DRD2MMP13CHRM1
SCHEMBL7139305 0.86 MAPK14 (0.43) CYP3A4MEN1KMT2ASMN1; SMN2CXCR3
SCHEMBL7144671 0.85 MEN1 (0.44) MEN1KMT2AMCHR1MMP13CHRM1
SCHEMBL7141820 0.85 MCHR1 (0.43) DRD4MEN1KMT2ATP53SMN1; SMN2

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