SCHEMBL7146510

SCHEMBL7146510

COc1cccc(C(=O)NCc2ccc([S+]([O-])N3CCC(NCc4ccc(OCc5ccccc5)cc4)CC3)s2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SENP5 Q96HI0 1/20 0.42
SENP2 Q9HC62 1/20 0.42
SENP1 Q9P0U3 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
HTT P42858 2/20 0.42
MMP13 P45452 2/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
ALOX12 P18054 1/20 0.42
SMPD1 P17405 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
CCR3 P51677 1/20 0.41
MAOA P21397 1/20 0.41
MCHR1 Q99705 1/20 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
SCHEMBL7143055 0.89 DRD4 (0.47) SMN1; SMN2RAB9AMMP13MEN1KMT2A
SCHEMBL7146835 0.86 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1HTTMMP13
SCHEMBL7141820 0.85 MCHR1 (0.43) SENP1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL7146066 0.85 MCHR1 (0.45) SMN1; SMN2RAB9ANPC1MMP13ALDH1A1
SCHEMBL7144914 0.84 KMT2A (0.48) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL7146457 0.84 CHRM1 (0.43) SMN1; SMN2RAB9ANPC1MMP13ALDH1A1
SCHEMBL3479882 0.84 KMT2A (0.53) SENP5SENP2SENP1SMN1; SMN2RAB9A
SCHEMBL7148150 0.84 CHRM1 (0.46) MMP13ALDH1A1POLBMCHR1HPGD
SCHEMBL7147874 0.84 CCR2 (0.44) MMP13ALDH1A1CCR3
SCHEMBL7145387 0.83 LMNA (0.45) MMP13ALDH1A1POLBLMNAHPGD

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 4 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
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 disclosed
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 disclosed