SCHEMBL7145650

SCHEMBL7145650

COc1cccc(C(=O)NCc2ccc([S+]([O-])N3CCCC(NCC45CC6CC(CC(C6)C4)C5)CC3)s2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
FAAH O00519 1/20 0.41
CNR2 P34972 1/20 0.41
CHRM1 P11229 1/20 0.40
GAA P10253 1/20 0.40
PREP P48147 1/20 0.39
HPGD P15428 1/20 0.39
MCHR1 Q99705 2/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
EPHX2 P34913 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
P2RX7 Q99572 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
SCHEMBL7144671 0.97 MEN1 (0.44) MEN1KMT2AFAAHCNR2CHRM1
SCHEMBL7145029 0.86 HPGD (0.42) MEN1KMT2ACHRM1GAAPREP
SCHEMBL7145105 0.85 CHRM1 (0.44) CHRM1GAAPREPHPGDMCHR1
SCHEMBL7148318 0.85 CHRM1 (0.43) CHRM1GAAPREPHPGDMCHR1
SCHEMBL7146507 0.85 CYP2C9 (0.47) KMT2ACHRM1PREPMCHR1ALDH1A1
SCHEMBL7148150 0.84 CHRM1 (0.46) CHRM1GAAPREPHPGDMCHR1
SCHEMBL3479792 0.83 KMT2A (0.48) MEN1KMT2AFAAHCNR2GAA
SCHEMBL7145348 0.83 ALDH1A1 (0.42) MEN1KMT2AGAAPREPHPGD
SCHEMBL7143055 0.83 DRD4 (0.47) MEN1KMT2ACHRM1MCHR1RAB9A
SCHEMBL7143814 0.82 CYP2C9 (0.52) HPGDALDH1A1

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