SCHEMBL8662142

SCHEMBL8662142

CN(C)c1ccc([S+](c2ccc(OCc3ccncc3)cc2)c2ccc(N(C)C)cc2)cc1.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.47

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.46
APP P05067 3/20 0.42
AR P10275 1/20 0.41
ADAMTS4 O75173 1/20 0.39
MMP13 P45452 1/20 0.39
NPC1 O15118 2/20 0.39
MAOB P27338 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NOX1 Q9Y5S8 1/20 0.38
PIR O00625 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
SCHEMBL6140104 0.92 RORC (0.49) RORCARADAMTS4MMP13NPC1
SCHEMBL6140394 0.85 RORC (0.44) RORCARADAMTS4MMP13NPC1
SCHEMBL6140238 0.85 RORC (0.44) RORCARADAMTS4MMP13NPC1
SCHEMBL6140119 0.82 LMNA (0.44) RORCADAMTS4MMP13MAOBKMT2A
SCHEMBL6140274 0.81 RORC (0.45) RORCARADAMTS4MMP13NPC1
SCHEMBL6140544 0.81 RORC (0.45) RORCARADAMTS4MMP13NPC1
SCHEMBL6140482 0.80 TSHR (0.44) RORCARADAMTS4MMP13MAOB
SCHEMBL6140591 0.80 TSHR (0.44) RORCARADAMTS4MMP13MAOB
SCHEMBL6140400 0.80 LMNA (0.47) RORCAPPARADAMTS4MMP13
SCHEMBL6140061 0.79 ALDH1A1 (0.53) NPC1KMT2ALMNASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5847218-A Sulfonium salts and chemically amplified positive resist compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-12-08 US disclosed