SCHEMBL9706078

SCHEMBL9706078

Cc1ccc2nc3c(nc2c1)c1ccccc1n3CCN(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.60
NPC1 O15118 2/20 0.60
GAA P10253 2/20 0.60
RAD52 P43351 1/20 0.60
RAB9A P51151 1/20 0.60
SMARCA2 P51531 1/20 0.60
TOP2A P11388 3/20 0.59
TERT O14746 1/20 0.57
TSHR P16473 7/20 0.56
MAPT P10636 5/20 0.56
CASP1 P29466 4/20 0.56
CASP7 P55210 4/20 0.56
USP2 O75604 4/20 0.56
LMNA P02545 3/20 0.56
MAPK1 P28482 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
ALOX15 P16050 2/20 0.56
HTT P42858 2/20 0.53
RXFP1 Q9HBX9 2/20 0.53
HSD17B10 Q99714 5/20 0.52

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
SCHEMBL1581068 0.89 POLB (0.61) POLBNPC1GAARAD52RAB9A
SCHEMBL30297107 0.89 POLB (0.61) POLBNPC1GAARAD52RAB9A
SCHEMBL9706276 0.88 POLB (0.75) POLBNPC1GAARAD52RAB9A
SCHEMBL9706173 0.88 MAPT (0.64) POLBNPC1GAARAD52RAB9A
SCHEMBL9706287 0.87 POLB (0.59) POLBNPC1GAARAD52RAB9A
SCHEMBL9706156 0.85 MAPK1 (0.50) POLBNPC1GAARAD52RAB9A
SCHEMBL9706260 0.85 MAPT (0.55) POLBNPC1GAARAD52RAB9A
Foscarnet SCHEMBL9706150 0.79 TOP2A (0.52) POLBNPC1GAARAD52RAB9A
SCHEMBL27165249 0.77 TOP2A (0.56) POLBNPC1GAARAD52RAB9A
SCHEMBL9706168 0.77 MAPT (0.70) POLBNPC1GAARAD52RAB9A

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