SCHEMBL9706302

SCHEMBL9706302

Clc1ccc2nc3[nH]c4ccccc4c3nc2c1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.61
RAB9A P51151 6/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
TP53 P04637 2/20 0.61
CASP1 P29466 2/20 0.61
MAPK10 P53779 2/20 0.61
CASP7 P55210 2/20 0.61
POLB P06746 2/20 0.61
MAPT P10636 8/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
MAPK1 P28482 1/20 0.54
PLK4 O00444 1/20 0.43
CHEK1 O14757 1/20 0.43
AURKA O14965 1/20 0.43
DAPK3 O43293 1/20 0.43
CHEK2 O96017 1/20 0.43
CDK1 P06493 1/20 0.43

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
SCHEMBL278691 0.80 NPC1 (0.72) NPC1RAB9ASMN1; SMN2TP53CASP1
SCHEMBL29572859 0.77 RAB9A (1.00) NPC1RAB9ASMN1; SMN2TP53CASP1
SCHEMBL278729 0.77 RAB9A (1.00) NPC1RAB9ASMN1; SMN2TP53CASP1
SCHEMBL1992456 0.75 CYP2A6 (0.45) MAPK10POLBMAPTCYP1A2MAPK9
SCHEMBL8832146 0.74 NPC1 (0.68) NPC1RAB9ASMN1; SMN2TP53CASP1
SCHEMBL18808809 0.74 NPC1 (0.62) NPC1RAB9ASMN1; SMN2TP53CASP1
SCHEMBL30713468 0.71 MAPT (0.46) NPC1RAB9ASMN1; SMN2TP53CASP1
SCHEMBL9436882 0.70 NPC1 (0.72) NPC1RAB9ASMN1; SMN2TP53CASP1
SCHEMBL8832011 0.70 NPC1 (0.71) NPC1RAB9ASMN1; SMN2TP53CASP1
SCHEMBL8832035 0.70 NPC1 (0.71) NPC1RAB9ASMN1; SMN2TP53CASP1

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