SCHEMBL13892116

SCHEMBL13892116

C1=CCc2nc3ccccc3nc2C=C1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
NQO2 P16083 5/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
GFER P55789 1/20 0.31
CYP1A2 P05177 1/20 0.30

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
SCHEMBL14572406 0.86 MAPT (0.42) MAPTNQO2KDM4EALDH1A1GAA
SCHEMBL20745916 0.73 MAPT (0.42) MAPTKDM4EALDH1A1GAAPKM
SCHEMBL18535884 0.73 ALDH1A1 (0.42) MAPTNQO2KDM4EALDH1A1GAA
SCHEMBL38102 0.71 MAPT (0.39) MAPTNQO2KDM4EALDH1A1GAA
SCHEMBL7168251 0.69 MAPT (0.37) MAPTNQO2KDM4EALDH1A1GAA
SCHEMBL7168253 0.69 MAPT (0.37) MAPTNQO2KDM4EALDH1A1GAA
SCHEMBL23685916 0.67
SCHEMBL28587483 0.67 MAPT (0.39) MAPTNQO2KDM4EALDH1A1GAA
Oxirane SCHEMBL3048492 0.66 POLB (0.36) MAPTPOLBHSD17B10CASP1
SCHEMBL5347514 0.66 NQO2 (0.41) MAPTNQO2KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670844-B2 WHITE-EMITTING COPOLYMERS, REPRESENTATION AND USE THEREOF MERCK PATENT GMBH (DE) 2017-03-01 EP disclosed
WO-2009053089-A1 OPTOELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2009-04-30 WO disclosed