SCHEMBL17452012

SCHEMBL17452012

S=P(c1ccccc1)(c1ccc(-c2c3ccccc3nc3ccccc23)cc1)c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 9/20 0.46
▸ ESR2 Q92731 8/20 0.46
▸ TOP1 P11387 1/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ LMNA P02545 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MAOA P21397 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ ADRA2A P08913 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
SCHEMBL17403798 0.86 ESR1 (0.51) ESR1ESR2NPSR1ALDH1A1KDM4E
SCHEMBL17451946 0.84 ESR1 (0.45) ESR1ESR2TOP1NPSR1KDM4E
SCHEMBL17403799 0.83 ESR1 (0.53) ESR1ESR2NPSR1ALDH1A1KDM4E
SCHEMBL17452015 0.82 CYP3A4 (0.40) ESR1ESR2TOP1ALDH1A1KDM4E
SCHEMBL16232714 0.81 CYP1A1 (0.35) ESR1ESR2TOP1ALDH1A1KDM4E
SCHEMBL17452009 0.81 NOTUM (0.41) TOP1NPSR1ALDH1A1KDM4ELMNA
SCHEMBL17452013 0.80 PDGFRB (0.48) TOP1NPSR1
SCHEMBL17452001 0.79 ESR1 (0.54) ESR1ESR2TOP1ALDH1A1KDM4E
SCHEMBL11461100 0.79 NPSR1 (0.44) ESR1ESR2TOP1NPSR1ALDH1A1
SCHEMBL17403802 0.78 ESR1 (0.43) ESR1ESR2TOP1ALDH1A1KDM4E

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
US-20160020405-A1 ORGANIC LIGHT EMITTING ELEMENT AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-21 — — US disclosed
US-20160020405-A1 ORGANIC LIGHT EMITTING ELEMENT AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-21 — — US disclosed
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