SCHEMBL7653573

SCHEMBL7653573

Cc1nc2ccccc2c(NCc2ccc(Br)cc2)c1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.52
KMT2A Q03164 2/20 0.50
POLB P06746 2/20 0.50
RAD52 P43351 1/20 0.50
MEN1 O00255 1/20 0.49
PRNP P04156 1/20 0.48
PPARG P37231 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
NR2E3 Q9Y5X4 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
PDE10A Q9Y233 1/20 0.48
HTT P42858 3/20 0.45
ALDH1A1 P00352 1/20 0.45
NTRK1 P04629 1/20 0.45
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 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
SCHEMBL6650864 0.92 TP53 (0.51) APPKMT2APOLBRAD52MEN1
SCHEMBL6652586 0.91 KMT2A (0.60) APPKMT2APOLBRAD52MEN1
SCHEMBL7649849 0.90 KMT2A (0.55) APPKMT2APOLBRAD52MEN1
SCHEMBL7646312 0.86 APP (0.46) APPKMT2APOLBRAD52MEN1
SCHEMBL7651874 0.83 ATM (0.46) APPKMT2APOLBRAD52MEN1
SCHEMBL7553839 0.82 APP (0.49) APPKMT2APOLBRAD52HTT
SCHEMBL9821131 0.82 KMT2A (0.59) APPKMT2APOLBRAD52MEN1
SCHEMBL6658584 0.82 HSD17B10 (0.51) APPKMT2APOLBRAD52MEN1
Hydrochloric Acid SCHEMBL9821072 0.81 KMT2A (0.57) APPKMT2APOLBRAD52MEN1
SCHEMBL6651230 0.81 APP (0.47) APPKMT2APOLBRAD52MEN1

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