SCHEMBL18267348

SCHEMBL18267348

Cc1cc2nc3cc(F)c(C)cc3nc2cc1F

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 5/20 0.50
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
MAPK14 Q16539 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ILK Q13418 2/20 0.37
TERT O14746 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
G6PD P11413 1/20 0.35
PKM P14618 1/20 0.35
GAA P10253 1/20 0.34
APAF1 O14727 1/20 0.34
MBNL1 Q9NR56 1/20 0.34
GPR3 P46089 1/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL12761800 0.87 NQO2 (0.39) NQO2MAPTKDM4ENPC1RAB9A
SCHEMBL31399930 0.85 ALDH1A1 (0.42) NQO2MAPTKDM4ENPC1RAB9A
SCHEMBL404244 0.85 ALDH1A1 (0.42) NQO2MAPTKDM4ENPC1RAB9A
SCHEMBL20049244 0.80 ALDH1A1 (0.47) NQO2MAPTKDM4ENPC1RAB9A
SCHEMBL15715211 0.79 HTT (0.41) NQO2KDM4ENPC1MAPK14ALDH1A1
SCHEMBL13388975 0.78 NQO2 (0.72) NQO2MAPTKDM4ENPC1RAB9A
SCHEMBL18967229 0.77 ENPP2 (0.37) NQO2ALDH1A1ILK
SCHEMBL15715193 0.77 SMN1; SMN2 (0.39) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL20827758 0.77 BACE1 (0.46) NQO2NPC1RAB9AALDH1A1ILK
SCHEMBL261036 0.75 ACHE (0.42) ALDH1A1GPR3

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-20160351815-A1 Phenazine-Based Molecular and Polymeric Semiconductors FLEXTERRA, INC. 2016-12-01 US disclosed