SCHEMBL22144643

SCHEMBL22144643

Cc1cc(=O)n2cccnc2n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.47
ALDH1A1 P00352 9/20 0.47
GAA P10253 4/20 0.47
GLA P06280 2/20 0.47
LMNA P02545 1/20 0.47
MPI P34949 1/20 0.47
HPGD P15428 6/20 0.46
HSD17B10 Q99714 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
KDM5B Q9UGL1 1/20 0.45
POLB P06746 1/20 0.41
PARP1 P09874 1/20 0.40
MAPT P10636 1/20 0.38
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL31729341 0.78 ALDH1A1 (0.43) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL31728628 0.78 PKM (0.42) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL31649970 0.78 GRM5 (0.40) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL31729030 0.76 KDM4E (0.39) KDM4EALDH1A1GAAGLALMNA
SCHEMBL5262211 0.75 KDM4E (0.38) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL31728257 0.71 KDM4E (0.50) KDM4EALDH1A1GAAGLALMNA
SCHEMBL6469168 0.71 ADORA3 (0.57) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL259599 0.69 KDM4E (0.51) KDM4EALDH1A1GAAGLALMNA
SCHEMBL259043 0.69 KDM4E (0.50) KDM4EALDH1A1GAAMPIHPGD
Hydrochloric Acid SCHEMBL6445246 0.69 ADORA3 (0.55) KDM4EALDH1A1GAAGLAHPGD

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-2020132561-A1 TARGETED PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2020-06-25 WO disclosed