SCHEMBL12454645

SCHEMBL12454645

Nc1c(S(=O)(=O)O)cc(S(=O)(=O)O)c2ccc(N=Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)c(O)c12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.76
▸ MEN1 O00255 4/20 0.60
▸ THRB P10828 4/20 0.60
▸ HPGD P15428 4/20 0.60
▸ RECQL P46063 4/20 0.60
▸ KMT2A Q03164 4/20 0.60
▸ HSD17B10 Q99714 4/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ MAPT P10636 3/20 0.60
▸ BLM P54132 3/20 0.60
▸ KDM4E B2RXH2 3/20 0.60
▸ CYP3A4 P08684 3/20 0.60
▸ MAPK1 P28482 3/20 0.60
▸ CYP2C9 P11712 3/20 0.60
▸ TP53 P04637 2/20 0.60
▸ ALOX15 P16050 2/20 0.60
▸ BRCA1 P38398 2/20 0.60
▸ APP P05067 2/20 0.60
▸ SNCA P37840 2/20 0.60
▸ CYP2C19 P33261 2/20 0.60

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
SCHEMBL12454641 0.89 CYP1A2 (0.69) CYP1A2MEN1THRBHPGDRECQL
SCHEMBL14148445 0.83 CYP1A2 (0.84) CYP1A2MEN1THRBHPGDRECQL
SCHEMBL12454648 0.82 CYP1A2 (0.51) CYP1A2MEN1THRBHPGDRECQL
SCHEMBL9640486 0.81 CYP1A2 (0.80) CYP1A2MEN1THRBHPGDRECQL
SCHEMBL14198112 0.78 MEN1 (0.72) CYP1A2MEN1THRBHPGDRECQL
SCHEMBL19131891 0.77 CYP1A2 (0.72) CYP1A2MEN1THRBHPGDRECQL
SCHEMBL13021201 0.76 CYP1A2 (0.69) CYP1A2MEN1THRBHPGDRECQL
SCHEMBL12454646 0.76 MEN1 (0.45) CYP1A2MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL15355820 0.76 CYP1A2 (0.79) CYP1A2MEN1THRBHPGDRECQL
Evans Blue Free Acid SCHEMBL16572423 0.75 MEN1 (1.00) CYP1A2MEN1THRBHPGDRECQL

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-20120235091-A1 POLARIZING FILM, COATING SOLUTION, AND IMAGE DISPLAY DEVICE NITTO DENKO CORPORATION (JP) 2012-09-20 — — US disclosed
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