SCHEMBL8085585

SCHEMBL8085585

O=C1c2ccccc2C(=S)c2c([N+](=O)[O-])ccc(-c3ccccc3)c21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.56
▸ POLB P06746 1/20 0.56
▸ APEX1 P27695 1/20 0.56
▸ CASP6 P55212 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ S100A4 P26447 3/20 0.49
▸ PTPRC P08575 3/20 0.49
▸ CSNK2A2 P19784 1/20 0.46
▸ CSNK2B P67870 1/20 0.46
▸ CSNK2A1 P68400 1/20 0.46
▸ CSNK2A3 Q8NEV1 1/20 0.46
▸ CYP3A4 P08684 3/20 0.44
▸ TSHR P16473 2/20 0.44
▸ TP53 P04637 2/20 0.43
▸ HIF1A Q16665 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL5109566 0.78 MAPT (0.79) MAPTPOLBAPEX1CASP6ALDH1A1
SCHEMBL11333782 0.77 S100A4 (0.66) MAPTPOLBAPEX1CASP6ALDH1A1
SCHEMBL10493841 0.76 ADORA2A (0.47) MAPTAPEX1ALDH1A1CYP3A4TSHR
SCHEMBL11214750 0.76 ADORA2A (0.56) MAPTPOLBALDH1A1TDP1PTPRC
SCHEMBL9444834 0.73 TDP1 (0.71) MAPTPOLBAPEX1CASP6ALDH1A1
SCHEMBL29575337 0.73 TDP1 (0.71) MAPTPOLBAPEX1CASP6ALDH1A1
SCHEMBL6055560 0.73 MEN1 (0.46) MAPTAPEX1ALDH1A1TDP1PTPRC
SCHEMBL8089975 0.73 ALDH1A1 (0.50) MAPTPOLBALDH1A1TDP1CYP3A4
SCHEMBL2300618 0.72 MAPT (1.00) MAPTPOLBAPEX1CASP6ALDH1A1
SCHEMBL155146 0.72 ALDH1A1 (0.69) MAPTPOLBAPEX1CASP6ALDH1A1

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-6054501-A CURABILITY; GLOSSINESS; CAN BE BLENDED WITH INKS, PAINTS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2000-04-25 — — US disclosed
EP-0844255-A1 PHOTOPOLYMERIZATION INITIATOR AND ACTINIC RADIATION-CURABLE COMPOSITION COMPRISING THE SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1998-05-27 — — EP disclosed
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