SCHEMBL20937641

SCHEMBL20937641

C=Cc1ccc(-c2ccccc2)n1CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.46
HPGD P15428 6/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
ALDH1A1 P00352 9/20 0.44
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 4/20 0.40
HTT P42858 1/20 0.38
GRIK1 P39086 1/20 0.38
GRIK2 Q13002 1/20 0.38
ADORA1 P30542 1/20 0.35
BACE1 P56817 3/20 0.35
CTSD P07339 1/20 0.35
APP P05067 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL20917763 0.82 KDM4E (0.50) KDM4EHPGDL3MBTL1ALDH1A1KMT2A
SCHEMBL8446966 0.70 ALDH1A1 (0.52) KDM4EHPGDL3MBTL1ALDH1A1KMT2A
SCHEMBL15591268 0.69 KDM4E (0.50) KDM4EHPGDL3MBTL1ALDH1A1KMT2A
SCHEMBL14035628 0.68 GRIK2 (0.59) KDM4EHPGDL3MBTL1ALDH1A1KMT2A
SCHEMBL17266949 0.67 ALDH1A1 (0.49) KDM4EHPGDL3MBTL1ALDH1A1KMT2A
SCHEMBL28010239 0.66 TSHR (0.61) KDM4EHPGDL3MBTL1ALDH1A1KMT2A
SCHEMBL20853323 0.64 CA12 (0.39) KDM4EHPGDL3MBTL1ALDH1A1KMT2A
SCHEMBL2807198 0.62 CYP3A4 (0.48) KDM4EHPGDL3MBTL1ALDH1A1MAPT
Biphenyl SCHEMBL8734478 0.62 ALDH1A1 (0.50) HPGDL3MBTL1ALDH1A1MAPTHSD17B10
SCHEMBL9664824 0.62 CYP19A1 (0.50) KDM4EHPGDL3MBTL1ALDH1A1MAPT

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