SCHEMBL17989022

SCHEMBL17989022

c1ccc2c(c1)ccc1c2c2ccccc2n1-c1ncncn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ TSHR P16473 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ IDO1 P14902 1/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ ATM Q13315 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HPRT1 P00492 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL17989923 0.89 KDM4E (0.44) PIK3CAMTORTSHRHSD17B10ALDH1A1
SCHEMBL17989894 0.87 KDM4E (0.36) PIK3CAMTORTSHRALDH1A1CYP3A4
SCHEMBL17988973 0.87 CYP3A4 (0.41) TSHRHSD17B10TDP1ALDH1A1CYP2A6
SCHEMBL17989877 0.85 KDM4E (0.43) PIK3CAMTORTSHRHSD17B10ALDH1A1
SCHEMBL17989899 0.84 KDM4E (0.42) PIK3CAMTORTSHRHSD17B10ALDH1A1
SCHEMBL17989900 0.83 KDM4E (0.37) PIK3CAMTORTSHRALDH1A1CYP3A4
SCHEMBL17989865 0.82 KDM4E (0.46) PIK3CAMTORTSHRHSD17B10ALDH1A1
SCHEMBL17989901 0.82 L3MBTL1 (0.49) PIK3CAMTORTSHRALDH1A1CYP3A4
SCHEMBL17989902 0.82 KDM4E (0.36) PIK3CAMTORTSHRCYP3A4ATM
SCHEMBL17245492 0.82 KDM4E (0.40) PIK3CAMTORTSHRALDH1A1CYP3A4

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-20160225992-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-04 — — US disclosed
US-20160225992-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-04 — — US disclosed
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