SCHEMBL21358703

SCHEMBL21358703

O=C(O)c1cc(C2CC2)c2ccccn12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.47
FNTB P49356 3/20 0.47
RORC P51449 4/20 0.43
CAMKK1 Q8N5S9 1/20 0.41
CAMKK2 Q96RR4 1/20 0.41
BAZ2B Q9UIF8 8/20 0.40
BAZ2A Q9UIF9 8/20 0.40
DAO P14920 1/20 0.39
MCL1 Q07820 1/20 0.38
CNR2 P34972 1/20 0.38
BRD4 O60885 2/20 0.38
BRD9 Q9H8M2 2/20 0.38
BRD2 P25440 1/20 0.38
BRD3 Q15059 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL17912637 0.77 RORC (0.56) FNTAFNTBRORC
SCHEMBL17339178 0.73 FNTA (0.52) FNTAFNTBBAZ2BBAZ2ADAO
SCHEMBL17339062 0.73 FNTA (0.51) FNTAFNTBBAZ2BBAZ2ADAO
SCHEMBL17339103 0.71 BAZ2B (0.49) FNTAFNTBBAZ2BBAZ2ADAO
SCHEMBL17339106 0.71 FNTA (0.60) FNTAFNTBBAZ2BBAZ2ABRD4
SCHEMBL17912519 0.71 RORC (0.51) RORC
SCHEMBL30152797 0.70 KDM4E (0.37) RORCCNR2BRD4BRD9ALDH1A1
SCHEMBL17339134 0.70 FNTA (0.48) FNTAFNTBBAZ2BBAZ2ADAO
SCHEMBL4491096 0.68 CNR2 (0.64) RORCCNR2
SCHEMBL16973593 0.65 FNTA (0.41) FNTAFNTBDAOMCL1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3765459-A1 SUBSTITUTED IMIDAZOPYRIDINES AS INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF Shire Human Genetic Therapies, Inc. (US) 2021-01-20 EP disclosed
WO-2019178129-A1 SUBSTITUTED IMIDAZOPYRIDINES AS INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2019-09-19 WO disclosed