SCHEMBL8086574

SCHEMBL8086574

O=c1c2ccccc2sc2cc([N+](=O)[O-])ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.51
CTSL P07711 1/20 0.51
PHOSPHO1 Q8TCT1 1/20 0.50
KDM4E B2RXH2 5/20 0.49
PARP1 P09874 1/20 0.48
MAPT P10636 6/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
KAT2B Q92831 1/20 0.47
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 4/20 0.46
HPGD P15428 2/20 0.46
S100A4 P26447 1/20 0.45
NPC1 O15118 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PSMD14 O00487 1/20 0.45
HTT P42858 1/20 0.45
POLB P06746 1/20 0.45

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
Ethane SCHEMBL27503799 0.97 CTSV (0.49) CTSVCTSLPHOSPHO1KDM4EPARP1
Bicarbonate SCHEMBL11113604 0.94 PHOSPHO1 (0.49) CTSVCTSLPHOSPHO1KDM4EPARP1
SCHEMBL3083218 0.92 MAPT (0.55) PHOSPHO1KDM4EPARP1MAPTKMT2A
SCHEMBL472542 0.90 KDM4E (0.57) CTSVCTSLPHOSPHO1KDM4EPARP1
SCHEMBL29724161 0.90 KDM4E (0.57) CTSVCTSLPHOSPHO1KDM4EPARP1
SCHEMBL17037091 0.85 MAPT (0.49) PHOSPHO1KDM4EPARP1MAPTKMT2A
SCHEMBL2436528 0.84 ALDH1A1 (0.49) PHOSPHO1MAPTKMT2AMEN1ALDH1A1
SCHEMBL749155 0.82 CRHBP (0.53) PHOSPHO1MAPTKMT2AMEN1KAT2B
SCHEMBL10800971 0.82 MAPT (0.48) PHOSPHO1KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL5115377 0.81 PARP1 (0.51) CTSVCTSLKDM4EPARP1MAPT

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 7 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
CN-1195356-A Photopolymerization initiator and energy ray-curable composition containing the same NIPPON KAYAKU KK (JP) 1998-10-07 CN disclosed
EP-0844255-A1 PHOTOPOLYMERIZATION INITIATOR AND ACTINIC RADIATION-CURABLE COMPOSITION COMPRISING THE SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1998-05-27 EP disclosed
EP-0110831-B1 THIOXANTHONES SUBSTITUTED BY ALPHA-AMINOALKYL GROUPS CIBA-GEIGY AG (CH) 1987-03-04 EP disclosed
US-4564578-A PHOTOSENSITIVE EPOXY RESINS CIBA-GEIGY CORPORATION (US) 1986-01-14 US disclosed
EP-0110831-A1 Thioxanthones substituted by alpha-aminoalkyl groups CIBA-GEIGY AG (CH) 1984-06-13 EP disclosed
US-4379039-A Ultraviolet curable resin composition TOYO BOSEKI KABUSHIKI KAISH (JP) 1983-04-05 US disclosed