SCHEMBL20111845

SCHEMBL20111845

N#Cc1c(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)cc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1-n1c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
TDP1 Q9NUW8 3/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
S1PR1 P21453 4/20 0.35
S1PR3 Q99500 2/20 0.35
KDM4E B2RXH2 6/20 0.35
HPGD P15428 5/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
GAA P10253 3/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33

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
SCHEMBL20111846 0.97 ALDH1A1 (0.34) ALDH1A1TDP1MAPTSMN1; SMN2S1PR1
SCHEMBL21109633 0.96 ALDH1A1 (0.36) ALDH1A1TDP1MAPTSMN1; SMN2S1PR1
SCHEMBL19942594 0.94 ALDH1A1 (0.34) ALDH1A1TDP1MAPTSMN1; SMN2S1PR1
SCHEMBL20112049 0.92 ALDH1A1 (0.34) ALDH1A1TDP1MAPTSMN1; SMN2S1PR1
SCHEMBL21279155 0.92 KDM4E (0.39) ALDH1A1TDP1MAPTSMN1; SMN2S1PR1
SCHEMBL20111844 0.91 ALDH1A1 (0.39) ALDH1A1TDP1MAPTSMN1; SMN2KDM4E
SCHEMBL22563493 0.91 KDM4E (0.40) ALDH1A1TDP1MAPTSMN1; SMN2KDM4E
SCHEMBL25659433 0.90 S1PR1 (0.35) ALDH1A1TDP1S1PR1S1PR3KDM4E
SCHEMBL25660749 0.90 ALOX5AP (0.39) ALDH1A1TDP1MAPTSMN1; SMN2HPGD
SCHEMBL20617237 0.90 AR (0.42) ALDH1A1TDP1KDM4EHPGDL3MBTL1

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-3360945-B1 ORGANIC ELECTROLUMINESCENT DEVICE CYNORA GMBH (DE) 2019-04-24 EP disclosed
WO-2018077492-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-03 WO disclosed