SCHEMBL22144516

SCHEMBL22144516

Cc1cc(=O)nc2ccccn12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 5/20 0.48
GAA P10253 4/20 0.48
GLA P06280 3/20 0.48
NPC1 O15118 3/20 0.48
HSD17B10 Q99714 2/20 0.48
HPGD P15428 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 3/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
MAPT P10636 3/20 0.43
ATM Q13315 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
RAB9A P51151 2/20 0.42
MAPK1 P28482 1/20 0.42
ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL22144486 0.78 KDM4E (0.49) KDM4EALDH1A1GAAGLANPC1
SCHEMBL22144688 0.78 KDM4E (0.48) KDM4EALDH1A1GAAGLANPC1
SCHEMBL2301088 0.78 KDM4E (0.48) KDM4EALDH1A1GAAGLANPC1
SCHEMBL9616068 0.75 TSHR (0.47) KDM4EALDH1A1GAAGLANPC1
SCHEMBL21893768 0.75 KDM4E (0.43) KDM4EALDH1A1GAAGLANPC1
SCHEMBL2823070 0.74 KDM4E (0.64) KDM4EALDH1A1GAAGLANPC1
SCHEMBL20851163 0.72 ALDH1A1 (0.41) KDM4EALDH1A1GAAGLANPC1
SCHEMBL18161341 0.72 HSD17B10 (0.57) KDM4EALDH1A1GAAGLANPC1
SCHEMBL17479668 0.71 GAA (0.49) KDM4EALDH1A1GAANPC1HSD17B10
SCHEMBL11357473 0.70 KMT2A (0.56) KDM4EALDH1A1GAAGLANPC1

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