SCHEMBL9434976

SCHEMBL9434976

Cc1ccc2c(-c3ccccc3NC(=O)O)oc(Cl)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.38
ALDH1A1 P00352 8/20 0.38
HTT P42858 3/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
RAB9A P51151 5/20 0.37
NPC1 O15118 4/20 0.37
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HPGD P15428 3/20 0.37
TSHR P16473 3/20 0.37
HSD17B10 Q99714 3/20 0.37
F12 P00748 1/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
USP2 O75604 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HCRTR1 O43613 1/20 0.37
NPY2R P49146 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
SCHEMBL9663251 0.86 HSP90AA1 (0.41) KDM4EPOLBMEN1KMT2ARAB9A
SCHEMBL8544322 0.82 KDM4E (0.53) KDM4EALDH1A1HTTPOLBMEN1
SCHEMBL9434971 0.81 KDM4E (0.47) KDM4EALDH1A1HTTPOLBMEN1
SCHEMBL9318636 0.79 SLC6A3 (0.47) KDM4EALDH1A1HTTPOLBMEN1
SCHEMBL8548840 0.76 KDM4E (0.35) KDM4EALDH1A1HTTPOLBMEN1
SCHEMBL9318361 0.73 AR (0.38) KDM4EALDH1A1HTTPOLBMEN1
SCHEMBL5106474 0.70 S1PR4 (0.50) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL4253395 0.68 GRM2 (0.48) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL5100118 0.68 MAPT (0.60) KDM4EALDH1A1HTTPOLBMEN1
SCHEMBL3913935 0.67 L3MBTL1 (0.59) KDM4EALDH1A1HTTMEN1KMT2A

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
WO-1994011369-A1 ANTIHYPERTENSIVE 5-[(IMIDAZO[4,5-b]PYRIDIN-3-YL)METHYL]BENZOFURAN DERIVATIVES GLAXO GROUP LIMITED (GB) 1994-05-26 WO disclosed