SCHEMBL9706300

SCHEMBL9706300

Cc1ccc2nc3[nH]c4ccc(Br)cc4c3nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
MAPT P10636 4/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 2/20 0.47
CASP1 P29466 2/20 0.47
RAB9A P51151 2/20 0.47
MAPK10 P53779 2/20 0.47
CASP7 P55210 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.46
POLB P06746 2/20 0.45
PLK4 O00444 1/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41

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
SCHEMBL9706105 0.87 MAPK1 (0.51) MAPK1MAPTNPC1TP53CASP1
SCHEMBL9706192 0.83 MAPT (0.47) MAPK1MAPTNPC1TP53CASP1
SCHEMBL8832035 0.81 NPC1 (0.71) MAPK1MAPTNPC1TP53CASP1
SCHEMBL8832028 0.81 NPC1 (0.65) MAPK1MAPTNPC1TP53CASP1
SCHEMBL8832011 0.78 NPC1 (0.71) MAPK1MAPTNPC1TP53CASP1
SCHEMBL19213937 0.77 NQO2 (0.55) MAPK1MAPTRAB9ASMN1; SMN2CYP1A2
SCHEMBL24277660 0.73 NQO2 (0.65) MAPK1MAPTRAB9ASMN1; SMN2CYP1A2
SCHEMBL8832004 0.72 RAB9A (0.65) MAPK1MAPTNPC1TP53CASP1
SCHEMBL6979361 0.71 KIF11 (0.55) MAPK1MAPTNPC1L3MBTL1GAA
SCHEMBL29412926 0.70 CYP1A2 (0.61) MAPK1MAPTNPC1TP53CASP1

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