SCHEMBL10694924

SCHEMBL10694924

Cc1nc2c3ccccc3ccn2c1Cn1ccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
CYP11B1 P15538 6/20 0.46
CYP11B2 P19099 6/20 0.46
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HCRTR1 O43613 1/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
CYP19A1 P11511 10/20 0.44
TBXAS1 P24557 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
QPCT Q16769 1/20 0.43
CYP4Z1 Q86W10 1/20 0.43
QPCTL Q9NXS2 1/20 0.43
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 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
SCHEMBL10688763 0.83 POLB (0.43) POLBCYP11B1CYP11B2MAPTCYP19A1
SCHEMBL10688636 0.77 MAPT (0.45) MAPTSMN1; SMN2HCRTR1TP53ALOX15
SCHEMBL12145159 0.74 MAPT (0.50) MAPTSMN1; SMN2HCRTR1TP53ALOX15
SCHEMBL10690155 0.74 ATP4A (0.55) MAPTSMN1; SMN2HCRTR1TP53ALOX15
SCHEMBL10691659 0.74 MAPT (0.50) POLBMAPTSMN1; SMN2HCRTR1TP53
SCHEMBL10688657 0.73 MAPT (0.46) MAPTSMN1; SMN2HCRTR1TP53ALOX15
SCHEMBL10692844 0.72 KDM4E (0.53) POLBMAPTSMN1; SMN2HCRTR1TP53
SCHEMBL11010710 0.71 POLB (0.60) POLBCYP11B1CYP11B2MAPTSMN1; SMN2
SCHEMBL12145158 0.71 MAPT (0.55) MAPTSMN1; SMN2HCRTR1TP53ALOX15
SCHEMBL8866026 0.70 POLB (1.00) POLBCYP11B1CYP11B2MAPTSMN1; SMN2

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