SCHEMBL20937296

SCHEMBL20937296

C=Cc1cc2cccc(OC)c2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 2/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
HRH4 Q9H3N8 2/20 0.43
FLT3 P36888 1/20 0.43
IDO1 P14902 1/20 0.40
NQO2 P16083 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 4/20 0.39
GAA P10253 3/20 0.39
PSMB8 P28062 1/20 0.38
MEN1 O00255 3/20 0.37
MAPT P10636 3/20 0.37
KMT2A Q03164 3/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
DAO P14920 1/20 0.36
PDE3B Q13370 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
SCHEMBL20920169 0.83 ALDH1A1 (0.49) ITKMTNR1AMTNR1BHRH4FLT3
SCHEMBL20853134 0.77 DAO (0.49) HRH4ALDH1A1KDM4EGAAMAPT
SCHEMBL476670 0.75 ITK (0.48) ITKMTNR1AMTNR1BHRH4FLT3
SCHEMBL21586308 0.74 EHMT2 (0.50) ITKMTNR1AMTNR1BHRH4FLT3
SCHEMBL28528231 0.74 MTNR1A (0.50) ITKMTNR1AMTNR1BHRH4FLT3
SCHEMBL20033880 0.74 ITK (0.47) ITKMTNR1AMTNR1BHRH4FLT3
SCHEMBL20937284 0.74 DAO (0.49) HRH4FLT3ALDH1A1KDM4EPSMB8
SCHEMBL24257222 0.73 KMT2A (0.49) MTNR1AMTNR1BHRH4FLT3IDO1
SCHEMBL5355906 0.71 MTNR1A (0.43) ITKMTNR1AMTNR1BHRH4FLT3
SCHEMBL5355901 0.71 MTNR1A (0.43) ITKMTNR1AMTNR1BHRH4FLT3

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-2019077631-A1 IMIDAZO-PYRIDINE COMPOUNDS AS PAD INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2019-04-25 WO disclosed