SCHEMBL12150857

SCHEMBL12150857

O=P(c1ccnc(N(c2ccccc2)c2ccccc2)n1)(n1c2ccccc2c2ccccc21)n1c2ccccc2c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ TSHR P16473 1/20 0.33
▸ SLC6A2 P23975 2/20 0.31
▸ CDK2 P24941 1/20 0.30
▸ GSK3B P49841 1/20 0.30
▸ DYRK1A Q13627 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
SCHEMBL12150920 0.89 ALDH1A1 (0.37) ALDH1A1TDP1TSHRSLC6A2CDK2
SCHEMBL12150835 0.80 — —
SCHEMBL12150704 0.78 ALDH1A1 (0.47) ALDH1A1TDP1TSHR
SCHEMBL12150876 0.75 — —
SCHEMBL12150849 0.75 SLC6A2 (0.30) SLC6A2
SCHEMBL12150860 0.74 — —
SCHEMBL12150745 0.74 ALDH1A1 (0.43) ALDH1A1TDP1TSHR
SCHEMBL12150854 0.74 ALDH1A1 (0.43) ALDH1A1TDP1TSHR
SCHEMBL12150918 0.74 ALDH1A1 (0.43) ALDH1A1TDP1TSHR
SCHEMBL12150788 0.74 ALDH1A1 (0.43) ALDH1A1TDP1TSHR

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-8722208-B2 Organic electroluminescent device NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2014-05-13 — — US disclosed
US-8722208-B2 Organic electroluminescent device NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2014-05-13 — — US disclosed
US-20110284828-A1 ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2011-11-24 — — US disclosed
US-20110284828-A1 ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2011-11-24 — — US disclosed
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