SCHEMBL4691091

SCHEMBL4691091

COC(=O)NCCc1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
ATM Q13315 1/20 0.49
ALDH1A1 P00352 4/20 0.48
HTT P42858 1/20 0.47
POLB P06746 1/20 0.47
PTPN1 P18031 1/20 0.47
MEN1 O00255 5/20 0.45
GAA P10253 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL4635689 0.89 POLB (0.51) KMT2AATMALDH1A1HTTPOLB
SCHEMBL4635694 0.89 POLB (0.51) KMT2AATMALDH1A1HTTPOLB
SCHEMBL3534536 0.82 KMT2A (0.48) KMT2AATMALDH1A1HTTPOLB
SCHEMBL8424307 0.81 HTT (0.56) KMT2AATMALDH1A1HTTPOLB
SCHEMBL4690208 0.79 KMT2A (0.51) KMT2AATMALDH1A1HTTPOLB
SCHEMBL4690202 0.79 KMT2A (0.51) KMT2AATMALDH1A1HTTPOLB
SCHEMBL27716526 0.76 HTT (0.58) KMT2AATMALDH1A1HTTPOLB
SCHEMBL4691085 0.75 KMT2A (0.49) KMT2AATMALDH1A1HTTPOLB
SCHEMBL5786183 0.75 ALDH1A1 (0.58) KMT2AATMALDH1A1HTTPOLB
SCHEMBL3532565 0.74 ALDH1A1 (0.49) KMT2AATMALDH1A1HTTPOLB

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-1973876-A2 SULFONYL SUBSTITUTED 1H-INDOLES AS LIGANDS FOR THE 5-HYDROXYTRYPTAMINE RECEPTORS Wyeth (US) 2008-10-01 EP disclosed
WO-2007084841-A2 SULFONYL SUBSTITUTED 1H-INDOLES AS LIGANDS FOR THE 5-HYDROXYTRYPTAMINE RECEPTORS WYETH (US) 2007-07-26 WO disclosed