SCHEMBL16218715

SCHEMBL16218715

O=[N+]([O-])c1ccc2ccccc2c1-c1cc2ccccc2c2sc3ccccc3c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ NQO1 P15559 1/20 0.39
▸ NQO2 P16083 1/20 0.39
▸ CYP3A4 P08684 1/20 0.37
▸ CYP19A1 P11511 1/20 0.36
▸ ERN1 O75460 1/20 0.34
▸ HNF4A P41235 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CSNK2A2 P19784 1/20 0.33
▸ CSNK2B P67870 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
SCHEMBL16218714 0.90 HPRT1 (0.42) HPRT1ALDH1A1TSHRTDP1MAPT
SCHEMBL16218707 0.84 ALDH1A1 (0.43) HPRT1ALDH1A1TSHRTDP1MAPT
SCHEMBL15126830 0.82 HPRT1 (0.43) HPRT1ALDH1A1TSHRTDP1MAPT
SCHEMBL16218719 0.81 CYP3A4 (0.44) HPRT1ALDH1A1TSHRTDP1MAPT
SCHEMBL16218716 0.81 ALDH1A1 (0.46) HPRT1ALDH1A1TSHRTDP1MAPT
SCHEMBL16218717 0.81 ALDH1A1 (0.46) HPRT1ALDH1A1TSHRTDP1MAPT
SCHEMBL19660346 0.79 HPRT1 (0.61) HPRT1ALDH1A1TSHRTDP1MAPT
SCHEMBL19786520 0.76 HPRT1 (0.48) HPRT1ALDH1A1TSHRTDP1MAPT
SCHEMBL16218701 0.76 ALDH1A1 (0.43) HPRT1ALDH1A1TSHRTDP1MAPT
SCHEMBL19961745 0.76 ALDH1A1 (0.43) HPRT1ALDH1A1TSHRTDP1MAPT

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-9905773-B2 Compound for organic electronic element, organic electronic element using the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2018-02-27 — — US disclosed
US-20140326987-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2014-11-06 — — US disclosed
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