SCHEMBL7973493

SCHEMBL7973493

COc1ccc(C(C(=O)O)C(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
MAPT P10636 6/20 0.47
ALDH1A1 P00352 4/20 0.47
HTT P42858 3/20 0.47
LMNA P02545 3/20 0.47
MAPK1 P28482 2/20 0.47
TTR P02766 1/20 0.44
GAA P10253 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
RAB9A P51151 2/20 0.42
XBP1 P17861 1/20 0.42
CCR6 P51684 1/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL7991264 0.86 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL7004051 0.85 HSD17B10 (0.49) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL7001550 0.79 MAOB (0.49) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL11263544 0.77 MAPK1 (0.56) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL28301064 0.76 LMNA (0.47) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL29435299 0.73 MAPT (0.67) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL512092 0.73 MAPT (0.67) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL6998064 0.73 MEN1 (0.55) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL15641270 0.70 AKR1C3 (0.63) ALDH1A1LMNACYP1A2CYP2C19TAS1R3
SCHEMBL15641272 0.70 AKR1C3 (0.63) ALDH1A1LMNACYP1A2CYP2C19TAS1R3

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-6200970-B1 FOR TREATING A DISEASE ASSOCIATED WITH OVERSTIMULATION OF AN AMPA RECEPTOR, OR HYPERACTIVITY OF AN EXCITATORY AMINO ACID SCHERING AKTIENGESELLSCHAFT (DE) 2001-03-13 US disclosed