SCHEMBL7141820

SCHEMBL7141820

COc1cccc(C(=O)NCc2ccc([S+]([O-])N3CCC(NCCc4ccc(-c5ccccc5)cc4)CC3)s2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CHRM1 P11229 1/20 0.42
CCR3 P51677 2/20 0.41
NPC1 O15118 1/20 0.41
SENP1 Q9P0U3 1/20 0.41
CHRM3 P20309 1/20 0.41
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
TP53 P04637 1/20 0.40
SLC5A7 Q9GZV3 1/20 0.40
WDR5 P61964 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK14 Q16539 1/20 0.40
DRD4 P21917 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
SCHEMBL7146457 0.93 CHRM1 (0.43) MCHR1RAB9ASMN1; SMN2CHRM1CCR3
SCHEMBL7148150 0.88 CHRM1 (0.46) MCHR1CHRM1USP2POLBALDH1A1
SCHEMBL7143055 0.85 DRD4 (0.47) MCHR1RAB9ASMN1; SMN2CHRM1TP53
SCHEMBL7146510 0.85 SENP5 (0.42) MCHR1RAB9ASMN1; SMN2CCR3NPC1
SCHEMBL3479854 0.84 KMT2A (0.53) MCHR1RAB9ASMN1; SMN2CCR3NPC1
SCHEMBL7145105 0.83 CHRM1 (0.44) MCHR1RAB9ACHRM1CCR3USP2
SCHEMBL7143115 0.83 MEN1 (0.43) RAB9ACHRM1NPC1USP2POLB
SCHEMBL7144671 0.83 MEN1 (0.44) MCHR1CHRM1USP2POLBALDH1A1
SCHEMBL7148318 0.82 CHRM1 (0.43) MCHR1RAB9ACHRM1CCR3USP2
SCHEMBL7146507 0.82 CYP2C9 (0.47) MCHR1CHRM1CCR3ALDH1A1KMT2A

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