SCHEMBL10690389

SCHEMBL10690389

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.70
MAPK1 P28482 3/20 0.70
RAB9A P51151 3/20 0.70
MAPT P10636 2/20 0.70
HCRTR1 O43613 1/20 0.70
TP53 P04637 1/20 0.70
ALOX15 P16050 1/20 0.70
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP1A2 P05177 4/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
MEN1 O00255 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 2/20 0.43
RXFP1 Q9HBX9 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
SCHEMBL10690311 0.84 SMN1; SMN2 (0.47) SMN1; SMN2MAPK1RAB9AMAPTHCRTR1
SCHEMBL10690142 0.84 ALDH1A1 (0.49) SMN1; SMN2MAPK1RAB9AMAPTHCRTR1
SCHEMBL10685737 0.83 SMN1; SMN2 (0.46) SMN1; SMN2MAPK1RAB9AMAPTHCRTR1
Hydrochloric Acid SCHEMBL10691971 0.83 SMN1; SMN2 (0.46) SMN1; SMN2MAPK1RAB9AMAPTHCRTR1
SCHEMBL10693417 0.81 SMN1; SMN2 (0.46) SMN1; SMN2MAPK1RAB9AMAPTHCRTR1
SCHEMBL10689387 0.78 SMN1; SMN2 (0.42) SMN1; SMN2MAPK1RAB9AMAPTHCRTR1
SCHEMBL31604412 0.77 SMN1; SMN2 (0.61) SMN1; SMN2MAPK1RAB9AMAPTHCRTR1
SCHEMBL10692769 0.76 MAPK1 (0.39) SMN1; SMN2MAPK1RAB9AMAPTHCRTR1
SCHEMBL10687438 0.76 MAPK1 (0.39) SMN1; SMN2MAPK1RAB9AMAPTHCRTR1
SCHEMBL11020544 0.75 SMN1; SMN2 (0.42) SMN1; SMN2MAPK1RAB9AMAPTHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4738967-A Imidazoisoquinoline compounds useful as anti-ulcerative agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-04-19 US disclosed
US-4686227-A Imidazoisoquinoline compounds useful as anti-ulcerative agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-08-11 US disclosed
EP-0165545-A2 Imidazoisoquinoline compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-12-27 EP disclosed