SCHEMBL11020544

SCHEMBL11020544

CCOC(C=O)c1c(C)nc2c3cccc(Cl)c3ccn12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
HCRTR1 O43613 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
KLKB1 P03952 1/20 0.30
MAP4K1 Q92918 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
SCHEMBL10690389 0.75 SMN1; SMN2 (0.70) SMN1; SMN2HCRTR1TP53MAPTALOX15
SCHEMBL10692304 0.74 KMT2A (0.43) SMN1; SMN2HCRTR1TP53MAPTALOX15
SCHEMBL10692769 0.72 MAPK1 (0.39) SMN1; SMN2HCRTR1TP53MAPTALOX15
SCHEMBL10692077 0.71 CYP1A2 (0.42) SMN1; SMN2HCRTR1TP53MAPTALOX15
SCHEMBL10693417 0.71 SMN1; SMN2 (0.46) SMN1; SMN2HCRTR1TP53MAPTALOX15
SCHEMBL10691237 0.69 SMN1; SMN2 (0.36) SMN1; SMN2HCRTR1TP53MAPTALOX15
SCHEMBL10690457 0.69 NR4A2 (0.42) SMN1; SMN2HCRTR1TP53MAPTALOX15
SCHEMBL10692146 0.69 NOTUM (0.36) SMN1; SMN2HCRTR1TP53MAPTALOX15
SCHEMBL10693751 0.69 ATP4A (0.44) SMN1; SMN2HCRTR1TP53MAPTALOX15
SCHEMBL10690142 0.68 ALDH1A1 (0.49) SMN1; SMN2HCRTR1TP53MAPTALOX15

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-0165545-A2 Imidazoisoquinoline compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-12-27 EP disclosed