SCHEMBL7420624

SCHEMBL7420624

CC(=O)N[C@@H](Cc1ccccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
MAOB P27338 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL6773482 1.00 KDM4A (0.54) KDM4AMEN1KMT2APOLBCYP2C19
SCHEMBL10148012 0.86 MEN1 (0.50) KDM4AMEN1KMT2APOLBCYP2C19
SCHEMBL22290853 0.83 ALDH1A1 (0.50) KDM4AMEN1KMT2APOLBCYP2C19
SCHEMBL8125440 0.83 KDM4A (0.51) KDM4AMEN1KMT2APOLBALDH1A1
SCHEMBL8125444 0.83 KDM4A (0.51) KDM4AMEN1KMT2APOLBALDH1A1
SCHEMBL649126 0.82 ACE (0.53) KDM4A
SCHEMBL648928 0.82 ACE (0.53) KDM4A
SCHEMBL30829406 0.82 ACE (0.53) KDM4A
SCHEMBL30829401 0.82 ACE (0.53) KDM4A
SCHEMBL391142 0.82 ACE (0.53) KDM4A

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
WO-1996036596-A1 3,4-DISUBSTITUTED-PHENYLSULPHONAMIDES AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-21 WO disclosed