SCHEMBL17249485

SCHEMBL17249485

C=Cc1ccc(C(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(C=C)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP3A4 P08684 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CRHBP P24387 1/20 0.34

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
SCHEMBL14727176 0.89 ALDH1A1 (0.38) ALDH1A1TSHRMAPTL3MBTL1CYP3A4
SCHEMBL7524035 0.87 ALDH1A1 (0.59) ALDH1A1TSHRCYP3A4CYP2C19TDP1
SCHEMBL172194 0.87 ALDH1A1 (0.59) ALDH1A1TSHRMAPTL3MBTL1CYP3A4
SCHEMBL1177035 0.87 ALDH1A1 (0.59) ALDH1A1TSHRMAPTL3MBTL1CYP3A4
SCHEMBL99027 0.87 ALDH1A1 (0.59) ALDH1A1TSHRMAPTL3MBTL1CYP3A4
SCHEMBL12114947 0.87 ALDH1A1 (0.59) ALDH1A1TSHRMAPTL3MBTL1CYP3A4
SCHEMBL13765104 0.85 RELA (0.47) ALDH1A1MAPTL3MBTL1CYP3A4KDM4E
SCHEMBL13508123 0.85 RELA (0.47) ALDH1A1MAPTL3MBTL1CYP3A4KDM4E
SCHEMBL13721248 0.84 ALDH1A1 (0.52) ALDH1A1TSHRMAPTL3MBTL1CYP3A4
SCHEMBL13721385 0.84 ALDH1A1 (0.52) ALDH1A1TSHRMAPTL3MBTL1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944629-B2 Material for organic electroluminescent element, organic electroluminescent element, illumination device, and display device Konica Minolta, Inc. (JP) 2018-04-17 US disclosed
US-9944629-B2 Material for organic electroluminescent element, organic electroluminescent element, illumination device, and display device Konica Minolta, Inc. (JP) 2018-04-17 US disclosed
US-20150322337-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, ILLUMINATION DEVICE, AND DISPLAY DEVICE Konica Minolta, Inc. (JP) 2015-11-12 US disclosed
US-20150322337-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, ILLUMINATION DEVICE, AND DISPLAY DEVICE Konica Minolta, Inc. (JP) 2015-11-12 US disclosed