SCHEMBL19760853

SCHEMBL19760853

Nc1ccc(S(=O)(=O)O)c2ccc(N=Nc3ccc(C=Cc4ccc(N=Nc5ccc6c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c6c5O)cc4)cc3)c(O)c12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.69
▸ HSD17B10 Q99714 4/20 0.58
▸ MEN1 O00255 4/20 0.58
▸ THRB P10828 4/20 0.58
▸ HPGD P15428 4/20 0.58
▸ RECQL P46063 4/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ KDM4E B2RXH2 3/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ CYP3A4 P08684 3/20 0.58
▸ MAPT P10636 3/20 0.58
▸ MAPK1 P28482 3/20 0.58
▸ BLM P54132 3/20 0.58
▸ CYP2C9 P11712 3/20 0.58
▸ CYP2C19 P33261 3/20 0.58
▸ TP53 P04637 2/20 0.58
▸ ALOX15 P16050 2/20 0.58
▸ BRCA1 P38398 2/20 0.58
▸ APP P05067 2/20 0.58
▸ SNCA P37840 2/20 0.58

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
SCHEMBL14148445 0.83 CYP1A2 (0.84) CYP1A2HSD17B10MEN1THRBHPGD
SCHEMBL29702447 0.82 CYP1A2 (0.59) CYP1A2HSD17B10MEN1THRBHPGD
SCHEMBL9640482 0.82 CYP1A2 (0.59) CYP1A2HSD17B10MEN1THRBHPGD
SCHEMBL28747674 0.82 CYP1A2 (0.59) CYP1A2HSD17B10MEN1THRBHPGD
SCHEMBL9640449 0.82 CYP1A2 (0.59) CYP1A2HSD17B10MEN1THRBHPGD
SCHEMBL9640486 0.81 CYP1A2 (0.80) CYP1A2HSD17B10MEN1THRBHPGD
SCHEMBL9640497 0.80 CYP1A2 (0.57) CYP1A2HSD17B10MEN1THRBHPGD
SCHEMBL19131891 0.79 CYP1A2 (0.72) CYP1A2HSD17B10MEN1THRBHPGD
SCHEMBL9640088 0.79 CYP1A2 (0.56) CYP1A2HSD17B10MEN1THRBHPGD
SCHEMBL9640108 0.79 CYP1A2 (0.56) CYP1A2HSD17B10MEN1THRBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180004017-A1 Display Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2018-01-04 — — US disclosed
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