SCHEMBL8086579

SCHEMBL8086579

O=[N+]([O-])c1ccc2c(c1)[S+]([O-])c1ccccc1C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ MAPT P10636 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ TLR9 Q9NR96 1/20 0.45
▸ CYP1A2 P05177 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ TDP2 O95551 1/20 0.40
▸ PARP1 P09874 2/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ PNMT P11086 1/20 0.39
▸ PTPRC P08575 2/20 0.38
▸ ACHE P22303 2/20 0.38
▸ BCHE P06276 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ S100A4 P26447 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38

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
SCHEMBL472544 0.91 MEN1 (0.45) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL10800979 0.82 ACHE (0.42) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL9160477 0.77 MAOA (0.39) MAPTLMNARAB9ACYP1A2HSD17B10
SCHEMBL10476775 0.77 MAOA (0.39) MAPTLMNARAB9ACYP1A2HSD17B10
SCHEMBL36333 0.77 MAOA (0.39) MAPTLMNARAB9ACYP1A2HSD17B10
SCHEMBL10801889 0.77 NPC1 (0.30) RAB9AALDH1A1
SCHEMBL11304593 0.77 TDP1 (0.41) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL11634337 0.76 TDP1 (0.46) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL10939109 0.76 HSP90AA1 (0.45) MEN1KMT2AMAPTLMNACYP1A2
Ammonia Solution, Strong SCHEMBL1871983 0.75 MAOA (0.37) MAPTLMNARAB9ACYP1A2HSD17B10

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 6 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
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
Send feedback