SCHEMBL11286643

SCHEMBL11286643

Cc1nn(-c2ccccc2)c2[nH]c(=O)c3ccccc3c12

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.72
MAPK1 P28482 1/20 0.72
KDM4E B2RXH2 3/20 0.64
HSD17B10 Q99714 3/20 0.64
PARP1 P09874 1/20 0.64
ALDH1A1 P00352 2/20 0.62
HTT P42858 2/20 0.55
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
KMT2A Q03164 1/20 0.55
TP53 P04637 1/20 0.52
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
TNF P01375 1/20 0.49
ATM Q13315 1/20 0.49
NOD2 Q9HC29 1/20 0.49
NOD1 Q9Y239 1/20 0.49

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
SCHEMBL13901617 0.91 HPGD (0.61) HPGDMAPK1KDM4EHSD17B10PARP1
Hydrochloric Acid SCHEMBL1720180 0.90 HPGD (0.60) HPGDMAPK1KDM4EHSD17B10PARP1
SCHEMBL10227998 0.86 PARP1 (0.55) HPGDMAPK1KDM4EHSD17B10PARP1
SCHEMBL10228002 0.85 PARP1 (0.54) HPGDMAPK1KDM4EHSD17B10PARP1
Hydrochloric Acid SCHEMBL1719955 0.85 PARP1 (0.54) HPGDMAPK1KDM4EHSD17B10PARP1
SCHEMBL1720914 0.84 KDM4E (0.56) HPGDMAPK1KDM4EHSD17B10PARP1
SCHEMBL13901616 0.84 HPGD (0.52) HPGDMAPK1KDM4EHSD17B10PARP1
Hydrochloric Acid SCHEMBL1720581 0.84 PARP1 (0.53) HPGDMAPK1KDM4EHSD17B10PARP1
Hydrochloric Acid SCHEMBL4069640 0.83 KDM4E (0.56) HPGDMAPK1KDM4EHSD17B10PARP1
Hydrochloric Acid SCHEMBL1719788 0.83 HPGD (0.51) HPGDMAPK1KDM4EHSD17B10PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4113731-A PHOTOGRAPHIC EMULSION STABILIZERS GRUPPO LEPETIT S.P.A. (IT) 1978-09-12 US claimed
EP-0005745-B1 PYRAZOLO (3,4-C) AND THIAZOLO (5,4-C) ISOQUINOLINES, METHODS FOR PREPARING THEM, THESE COMPOUNDS FOR USE AS ANTIINFLAMMATORY, CNS-DEPRESSANT AND ANTI-ANXIETY AGENTS AND PHARMACEUTICAL COMPOSITIONS THEREOF GRUPPO LEPETIT S.P.A. (IT) 1982-07-14 EP disclosed
US-4232017-A CNS DEPRESSANTS; TRANQUILIZERS GRUPPO LEPETIT S.P.A. (IT) 1980-11-04 US disclosed
EP-0005745-A1 Pyrazolo (3,4-c) and thiazolo (5,4-c) isoquinolines, methods for preparing them, these compounds for use as antiinflammatory, CNS-depressant and anti-anxiety agents and pharmaceutical compositions thereof GRUPPO LEPETIT S.P.A. (IT) 1979-12-12 EP disclosed
US-4113731-A PHOTOGRAPHIC EMULSION STABILIZERS GRUPPO LEPETIT S.P.A. (IT) 1978-09-12 US disclosed