SCHEMBL10694933

SCHEMBL10694933

Cc1nc2c3ccccc3ccn2c1Cc1ncc[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
TAAR1 Q96RJ0 6/20 0.44
MAPT P10636 3/20 0.44
MAPK1 P28482 2/20 0.44
HCRTR1 O43613 1/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 4/20 0.39
KMT2A Q03164 2/20 0.39
PDE10A Q9Y233 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.37
HTR1A P08908 1/20 0.37
PARP1 P09874 1/20 0.36
BRD4 O60885 1/20 0.35

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
SCHEMBL10688776 0.84 TAAR1 (0.47) ADRA2AADRA2BADRA2CTAAR1PDE10A
SCHEMBL10689984 0.78 MAPT (0.44) MAPTMAPK1HCRTR1TP53ALOX15
SCHEMBL10688636 0.72 MAPT (0.45) MAPTMAPK1HCRTR1TP53ALOX15
SCHEMBL10690155 0.72 ATP4A (0.55) MAPTMAPK1HCRTR1TP53ALOX15
SCHEMBL12145159 0.72 MAPT (0.50) MAPTMAPK1HCRTR1TP53ALOX15
SCHEMBL10691659 0.72 MAPT (0.50) MAPTMAPK1HCRTR1TP53ALOX15
SCHEMBL10694924 0.70 POLB (0.53) MAPTMAPK1HCRTR1TP53ALOX15
SCHEMBL10929929 0.70 ADRA2A (0.67) ADRA2AADRA2BADRA2CTAAR1PDE10A
SCHEMBL956439 0.70 TAAR1 (0.65) ADRA2AADRA2BADRA2CTAAR1PDE10A
SCHEMBL12145158 0.69 MAPT (0.55) MAPTMAPK1HCRTR1TP53ALOX15

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