SCHEMBL7740267

SCHEMBL7740267

C/N=C1/C(=O)N(CC(=O)Cl)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.46
MAPT P10636 6/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 3/20 0.44
AGTR1 P30556 1/20 0.44
MEN1 O00255 1/20 0.44
HSD17B10 Q99714 2/20 0.43
LRRK2 Q5S007 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ACE P12821 1/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.40
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 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
SCHEMBL7745423 0.80 CES1 (0.62) ALDH1A1MAPTPOLBKMT2AAGTR1
SCHEMBL8412206 0.75 ALDH1A1 (0.67) ALDH1A1MAPTPOLBLMNAKMT2A
SCHEMBL252198 0.73 CA12 (0.68) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL7745479 0.73 ALDH1A1 (0.47) ALDH1A1MAPTPOLBLMNAKMT2A
SCHEMBL25136853 0.71 TTR (0.67) ALDH1A1MAPTPOLBLMNAKMT2A
SCHEMBL13114100 0.71 TTR (0.67) ALDH1A1MAPTPOLBLMNAKMT2A
SCHEMBL6317943 0.70 ALDH1A1 (0.54) ALDH1A1MAPTPOLBKMT2AAGTR1
SCHEMBL6317939 0.70 ALDH1A1 (0.54) ALDH1A1MAPTPOLBKMT2AAGTR1
SCHEMBL7564529 0.69 CA12 (0.56) ALDH1A1MAPTPOLBLMNAKMT2A
SCHEMBL7564533 0.69 CA12 (0.56) ALDH1A1MAPTPOLBLMNAKMT2A

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-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed