SCHEMBL9706263

SCHEMBL9706263

Clc1ccc2[nH]c3nc4ccccc4nc3c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.65
CASP7 P55210 4/20 0.65
RAB9A P51151 3/20 0.65
TP53 P04637 3/20 0.65
NPC1 O15118 2/20 0.65
MAPK10 P53779 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
POLB P06746 1/20 0.65
MAPT P10636 5/20 0.59
CYP1A2 P05177 4/20 0.52
CYP2C19 P33261 3/20 0.52
CYP3A4 P08684 3/20 0.52
CYP2C9 P11712 2/20 0.52
MAPK1 P28482 2/20 0.52
KDM4E B2RXH2 4/20 0.47
HCRTR1 O43613 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
HSD17B10 Q99714 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL29412926 0.84 CYP1A2 (0.61) CASP1CASP7RAB9ATP53NPC1
SCHEMBL24108671 0.84 CYP1A2 (0.61) CASP1CASP7RAB9ATP53NPC1
SCHEMBL9706192 0.84 MAPT (0.47) CASP1CASP7RAB9ATP53NPC1
SCHEMBL8832028 0.81 NPC1 (0.65) CASP1CASP7RAB9ATP53NPC1
SCHEMBL29572859 0.79 RAB9A (1.00) CASP1CASP7RAB9ATP53NPC1
SCHEMBL278729 0.79 RAB9A (1.00) CASP1CASP7RAB9ATP53NPC1
SCHEMBL8689444 0.78 PTGES (0.49) CASP1CASP7RAB9ATP53NPC1
SCHEMBL8113168 0.77 SMN1; SMN2 (0.59) CASP1CASP7RAB9ATP53NPC1
SCHEMBL9706196 0.76 CYP1A2 (0.71) CASP1CASP7RAB9ATP53NPC1
SCHEMBL278691 0.75 NPC1 (0.72) CASP1CASP7RAB9ATP53NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0238459-B1 SUBSTITUTED INDOLOQUINOXALINES Lundblad, Leif (SE) 1992-04-15 EP disclosed
US-4990510-A Viricides, anticancer agents LEIF LUNDBLAD (BE) 1991-02-05 US disclosed
EP-0238459-A1 Substituted indoloquinoxalines Lundblad, Leif (SE) 1987-09-23 EP disclosed
WO-1987004436-A1 SUBSTITUTED INDOLOQUINOXALINES LUNDBLAD, LEIF (SE) 1987-07-30 WO disclosed