SCHEMBL9257344

SCHEMBL9257344

CCCCc1nc(Cl)c(CC(=O)OCC)c(Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
MAPK1 P28482 3/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
TSHR P16473 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HSD17B10 Q99714 4/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 1/20 0.36
ATM Q13315 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL9253828 0.83 MAPK1 (0.44) KDM4EMAPK1CA12CA1CA2
SCHEMBL9249723 0.82 ALDH1A1 (0.45) KDM4EMAPK1TSHRL3MBTL1HSD17B10
SCHEMBL8805944 0.81 ALDH1A1 (0.43) HSD17B10LMNAALDH1A1HPGD
SCHEMBL5844147 0.80 MAPK1 (0.46) KDM4EMAPK1CA12CA1CA2
SCHEMBL1748473 0.80 MAPK1 (0.46) KDM4EMAPK1CA12CA1CA2
SCHEMBL9254231 0.80 AGTR1 (0.44) L3MBTL1RAB9APKM
SCHEMBL4686439 0.79 MAPK1 (0.48) KDM4EMAPK1TSHRTDP1L3MBTL1
SCHEMBL1055154 0.79 MAPK1 (0.53) KDM4EMAPK1CA12CA1CA2
SCHEMBL9250317 0.78 DHFR (0.40) KDM4ERAB9AALDH1A1MAPT
SCHEMBL9250685 0.76 SMO (0.34) L3MBTL1LMNAMAPT

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-5474996-A Angiotension II inhibitors ROUSSEL UCLAF (FR) 1995-12-12 US disclosed