SCHEMBL25145035

SCHEMBL25145035

CNC(=O)Cc1cnc(C)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.47
HRH1 P35367 1/20 0.47
FDPS P14324 1/20 0.45
KMT2A Q03164 1/20 0.35
GRIN1 Q05586 3/20 0.35
GRIN2B Q13224 3/20 0.35
BAZ2B Q9UIF8 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK10 P53779 1/20 0.34
PLK1 P53350 1/20 0.32
POLB P06746 2/20 0.32
GSK3B P49841 1/20 0.31
EGFR P00533 1/20 0.31
SRC P12931 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL13141406 0.81 HRH4 (0.43) HRH4HRH1FDPSKMT2ABAZ2B
SCHEMBL889033 0.79 HRH4 (0.52) HRH4HRH1FDPSBAZ2BPOLB
SCHEMBL21539013 0.78 BRS3 (0.33) KMT2AGRIN1GRIN2B
SCHEMBL2708549 0.76 HRH4 (0.67) HRH4HRH1FDPSKMT2ABAZ2B
SCHEMBL8655436 0.71 TSHR (0.44) HRH4HRH1FDPSKMT2ATSHR
SCHEMBL21547869 0.70 KMT2A (0.40) KMT2APOLBEGFRSRCTSHR
SCHEMBL889024 0.70 HRH4 (0.55) HRH4HRH1FDPSEGFRHSD17B10
SCHEMBL889023 0.70
SCHEMBL29902874 0.69 ALDH1A1 (0.61) HRH4KMT2APOLBTSHR
SCHEMBL8194543 0.69 RAB9A (0.47) HRH4HRH1FDPSPOLBHSD17B10

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
EP-3564239-B9 ARYL HYDROCARBON RECEPTOR MODULATOR ARIAGEN INC (US) 2023-04-19 EP disclosed