SCHEMBL9434971

SCHEMBL9434971

Cc1ccc2oc(-c3ccccc3NC(=O)O)c(Cl)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
POLB P06746 3/20 0.47
MAPT P10636 7/20 0.46
RAB9A P51151 4/20 0.46
HPGD P15428 3/20 0.46
NPC1 O15118 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
TP53 P04637 4/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.44
F12 P00748 2/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
ADORA3 P0DMS8 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL8544320 0.83 KDM4E (0.63) KDM4EPOLBMAPTRAB9AHPGD
SCHEMBL9434976 0.81 KDM4E (0.38) KDM4EPOLBMAPTRAB9AHPGD
SCHEMBL9318622 0.80 KDM4E (0.47) KDM4EPOLBMAPTRAB9AHPGD
SCHEMBL8548832 0.76 KDM4E (0.44) KDM4EPOLBMAPTRAB9AHPGD
SCHEMBL9318354 0.75 KDM4E (0.45) KDM4EPOLBMAPTRAB9AHPGD
SCHEMBL9318281 0.70 ALDH1A1 (0.40) MAPTALDH1A1
SCHEMBL5106474 0.69 S1PR4 (0.50) KDM4EMAPTRAB9AHPGDNPC1
SCHEMBL7312942 0.69 KDM4E (0.62) KDM4EPOLBMAPTRAB9AHPGD
SCHEMBL9663251 0.68 HSP90AA1 (0.41) KDM4EPOLBMAPTRAB9AHPGD
SCHEMBL2206554 0.67 ADORA3 (0.50) KDM4EPOLBHPGDMEN1KMT2A

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