SCHEMBL10694506

SCHEMBL10694506

Cc1nc2c3cccc(Cl)c3ccn2c1CC#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 5/20 0.48
ATP4B P51164 5/20 0.48
CYP1A2 P05177 3/20 0.46
MAPK1 P28482 2/20 0.46
MEN1 O00255 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CYP2A6 P11509 2/20 0.34
MAPT P10636 2/20 0.33
HCRTR1 O43613 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADRA2A P08913 1/20 0.32

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
SCHEMBL10693751 0.84 ATP4A (0.44) ATP4AATP4BCYP1A2MAPK1CYP3A4
SCHEMBL10691237 0.82 SMN1; SMN2 (0.36) ATP4AATP4BCYP1A2MAPK1MEN1
SCHEMBL10693490 0.82 RAB9A (0.36) CYP1A2MAPK1CYP3A4CYP2D6CYP2C9
SCHEMBL10690375 0.82 CYP1A2 (0.34) ATP4AATP4BCYP1A2MAPK1CYP2A6
SCHEMBL10690155 0.81 ATP4A (0.55) ATP4AATP4BCYP1A2MAPK1MEN1
Iodide SCHEMBL10692587 0.81 CYP1A2 (0.33) ATP4AATP4BCYP1A2MAPK1CYP2A6
SCHEMBL10687438 0.80 MAPK1 (0.39) MAPK1MAPTHCRTR1TP53ALOX15
SCHEMBL10689158 0.80 MAPT (0.34) ATP4AATP4BCYP1A2MAPK1CYP3A4
SCHEMBL10688978 0.80 SMN1; SMN2 (0.34) CYP1A2MAPK1MEN1CYP3A4CYP2D6
SCHEMBL10692769 0.80 MAPK1 (0.39) ATP4AATP4BCYP1A2MAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4686227-A Imidazoisoquinoline compounds useful as anti-ulcerative agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-08-11 US claimed
EP-0165545-A2 Imidazoisoquinoline compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-12-27 EP claimed
JP-61010584-A None JP disclosed
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
JP-S6110584-A IMIDAZOISOQUINOLINE COMPOUND AND PREPARATION THEREOF FUJISAWA PHARMACEUT CO LTD 1986-01-18 JP disclosed
EP-0165545-A2 Imidazoisoquinoline compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-12-27 EP disclosed