SCHEMBL7991264

SCHEMBL7991264

COc1ccc(C(C(=O)O)C(=O)c2ccc([N+](=O)[O-])cc2)cc1Br

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 5/20 0.47
POLB P06746 3/20 0.47
ALDH1A1 P00352 2/20 0.45
TTR P02766 1/20 0.44
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 2/20 0.41
KRAS P01116 1/20 0.41
BLM P54132 1/20 0.41
LMNA P02545 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
PGR P06401 1/20 0.41

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
SCHEMBL7973493 0.86 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1TTR
SCHEMBL28444749 0.79 ALDH1A1 (0.54) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL6998064 0.79 MEN1 (0.55) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL7004051 0.75 HSD17B10 (0.49) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL145997 0.73 TDP1 (0.64) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL31144295 0.73 TDP1 (0.64) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL7001550 0.73 MAOB (0.49) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL8389103 0.71 ALDH1A1 (0.54) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL1679243 0.70 AKR1C3 (0.55) ALDH1A1HPGDCYP1A2CYP2D6CYP2C19
SCHEMBL16550142 0.70 L3MBTL1 (0.71) MAPTALDH1A1CYP1A2CYP2C19TDP1

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