SCHEMBL10880909

SCHEMBL10880909

N#CC(=Cc1ccc(C=C(C#N)c2ccc(N)cc2)cc1)c1ccc(N)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.69
ESR2 Q92731 2/20 0.69
NQO2 P16083 3/20 0.53
MAPT P10636 5/20 0.51
ALDH1A1 P00352 4/20 0.51
RAB9A P51151 2/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 3/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 2/20 0.45
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TUBB4A P04350 3/20 0.43
TUBB P07437 3/20 0.43
TUBA3C P0DPH7 3/20 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
SCHEMBL10880900 1.00 ESR1 (0.69) ESR1ESR2NQO2MAPTALDH1A1
SCHEMBL10899749 1.00 ESR1 (0.69) ESR1ESR2NQO2MAPTALDH1A1
SCHEMBL7047978 1.00 ESR1 (0.69) ESR1ESR2NQO2MAPTALDH1A1
SCHEMBL7047976 1.00 ESR1 (0.69) ESR1ESR2NQO2MAPTALDH1A1
SCHEMBL10880906 1.00 ESR1 (0.69) ESR1ESR2NQO2MAPTALDH1A1
SCHEMBL10879589 0.94 ESR1 (0.62) ESR1ESR2NQO2MAPTALDH1A1
SCHEMBL10879599 0.94 ESR1 (0.62) ESR1ESR2NQO2MAPTALDH1A1
SCHEMBL10879606 0.94 ESR1 (0.62) ESR1ESR2NQO2MAPTALDH1A1
SCHEMBL10881508 0.93 ALDH1A1 (0.62) ESR1ESR2NQO2MAPTALDH1A1
SCHEMBL8398204 0.93 ESR1 (0.83) ESR1ESR2NQO2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0078151-B1 PHOTORECEPTORS FOR ELECTROPHOTOGRAPHY KONICA CORPORATION (JP) 1986-03-12 EP disclosed
US-4537847-A Disazo photoreceptors for electrophotography KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1985-08-27 US disclosed
EP-0078151-A1 Photoreceptors for electrophotography KONICA CORPORATION (JP) 1983-05-04 EP disclosed