SCHEMBL22769236

SCHEMBL22769236

c1cnc2c(c1)[nH]c1cc(-c3ccc4nc[nH]c4c3)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 7/20 0.56
QPCTL Q9NXS2 5/20 0.56
KIF11 P52732 1/20 0.51
PRKCI P41743 2/20 0.45
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 2/20 0.41
SYK P43405 2/20 0.41
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
PARP1 P09874 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2C P18825 1/20 0.40

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
Benzimidazole SCHEMBL29220373 0.80 PARP1 (0.51) KIF11KDM4ENPC1ALDH1A1TP53
SCHEMBL21157142 0.78 KIF11 (0.55) KIF11KDM4EMAPTPARP1
SCHEMBL8634290 0.76 QPCT (0.68) QPCTQPCTLPRKCIKDM4ENPC1
SCHEMBL14133268 0.76 KIF11 (0.56) KIF11MAPTPARP1
SCHEMBL23207344 0.74 QPCT (0.55) QPCTQPCTLPRKCIALOX5APFEN1
SCHEMBL2474515 0.73 QPCT (0.60) QPCTQPCTLPRKCIKDM4ENPC1
SCHEMBL2462345 0.72 QPCT (0.68) QPCTQPCTLPRKCIKDM4ENPC1
SCHEMBL6962245 0.72 QPCT (1.00) QPCTQPCTLPRKCIKDM4ENPC1
SCHEMBL2628333 0.71 KIF11 (0.60) KIF11KDM4ENPC1ALDH1A1PARP1
SCHEMBL11235922 0.71 QPCT (0.58) QPCTQPCTLPRKCIALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200388791-A1 ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING CAPPING LAYER AND USE VALIANT CO., LTD. 2020-12-10 US disclosed