SCHEMBL19020845

SCHEMBL19020845

c1ccc2c(c1)ncc1c3ccccc3ncc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 3/20 0.68
KDM4E B2RXH2 2/20 0.68
MAPT P10636 2/20 0.50
ERN1 O75460 1/20 0.47
NCF1 P14598 1/20 0.46
PI4KA P42356 1/20 0.46
PI4K2B Q8TCG2 1/20 0.46
PI4K2A Q9BTU6 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
TOP2A P11388 2/20 0.46
CYP3A4 P08684 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
ADORA2A P29274 1/20 0.43
PDPK1 O15530 1/20 0.43
CA12 O43570 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
SCHEMBL241476 0.84 GPR3 (0.69) GPR3KDM4EMAPTTOP2ACYP3A4
SCHEMBL29827472 0.84 GPR3 (0.69) GPR3KDM4EMAPTTOP2ACYP3A4
Phenanthridine SCHEMBL9106884 0.81 GPR3 (1.00) GPR3KDM4EMAPTERN1TOP2A
Phenanthridine SCHEMBL30823553 0.81 GPR3 (1.00) GPR3KDM4EMAPTERN1TOP2A
Phenanthridine SCHEMBL8666 0.81 GPR3 (1.00) GPR3KDM4EMAPTERN1TOP2A
Phenanthridine SCHEMBL30914262 0.81 GPR3 (1.00) GPR3KDM4EMAPTERN1TOP2A
Phenanthridine SCHEMBL23003530 0.79 GPR3 (0.95) GPR3KDM4EMAPTERN1TOP2A
Phenanthridine SCHEMBL8505090 0.79 GPR3 (0.95) GPR3KDM4EMAPTERN1TOP2A
Phenanthridine SCHEMBL2421052 0.79 GPR3 (0.95) GPR3KDM4EMAPTERN1TOP2A
SCHEMBL2231455 0.79 KDM4E (0.68) GPR3KDM4EMAPTERN1NCF1

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-20170179402-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 US disclosed