SCHEMBL7650263

SCHEMBL7650263

CCc1nc2ccccc2c(NCc2ccc(Br)cc2)c1C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
TP53 P04637 1/20 0.53
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
APP P05067 2/20 0.46
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
RAD52 P43351 1/20 0.45
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALOX5 P09917 1/20 0.43
EGFR P00533 1/20 0.42
MEN1 O00255 1/20 0.42
AGTR1 P30556 1/20 0.42
AGTR2 P50052 1/20 0.42
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL7649849 0.87 KMT2A (0.55) MAPTTP53ALDH1A1APPKMT2A
SCHEMBL6651408 0.83 ALDH1A1 (0.48) MAPTTP53ALDH1A1KDM4EL3MBTL1
SCHEMBL7553111 0.83 APP (0.47) MAPTTP53ALDH1A1KDM4EL3MBTL1
SCHEMBL27463941 0.82 APP (0.46) MAPTTP53ALDH1A1KDM4EL3MBTL1
SCHEMBL7653573 0.78 APP (0.52) TP53ALDH1A1L3MBTL1APPKMT2A
SCHEMBL7646678 0.78 KMT2A (0.61) TP53ALDH1A1KDM4EL3MBTL1APP
SCHEMBL6650864 0.77 TP53 (0.51) MAPTTP53ALDH1A1L3MBTL1APP
SCHEMBL7646312 0.77 APP (0.46) MAPTTP53ALDH1A1APPKMT2A
SCHEMBL7651874 0.76 ATM (0.46) MAPTTP53ALDH1A1KDM4EAPP
SCHEMBL7651486 0.75 PRNP (0.50) MAPTALDH1A1KDM4EL3MBTL1KMT2A

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-6339077-B1 FOR PROPHYLAXIS OR OF GALLSTONES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-01-15 US disclosed