SCHEMBL11063998

SCHEMBL11063998

O=[N+]([O-])c1cc2c(c(-c3ccccc3)c1)C(=S)OC2=S

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.43
▸ ALDH1A1 P00352 5/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ POLB P06746 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ PTPRC P08575 2/20 0.37
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ S100A4 P26447 1/20 0.37
▸ HPRT1 P00492 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL11064000 0.90 ALDH1A1 (0.44) PTGS2ALDH1A1RAB9APOLBTDP1
SCHEMBL16586317 0.74 TDP1 (0.55) PTGS2ALDH1A1RAB9APOLBTDP1
SCHEMBL11067177 0.74 MEN1 (0.43) PTGS2ALDH1A1RAB9APOLBTDP1
SCHEMBL5925223 0.73 ALDH1A1 (0.53) PTGS2ALDH1A1RAB9APOLBTDP1
SCHEMBL11287362 0.73 ALDH1A1 (0.45) ALDH1A1RAB9APOLBTDP1NPC1
SCHEMBL2437022 0.72 CRHBP (0.55) PTGS2ALDH1A1RAB9APOLBTDP1
SCHEMBL6775236 0.72 PTGS2 (0.54) PTGS2ALDH1A1RAB9APOLBTDP1
SCHEMBL6391559 0.70 PTGS2 (0.69) PTGS2ALDH1A1RAB9APOLBTDP1
SCHEMBL28207049 0.70 PTGS2 (0.73) PTGS2ALDH1A1RAB9APOLBTDP1
SCHEMBL9664713 0.69 POLB (0.53) PTGS2ALDH1A1RAB9APOLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4480105-A PHOTOCROSSLINKING POLYMERS CIBA-GEIGY CORPORATION (US) 1984-10-30 — — US disclosed
US-4385182-A SENSITIZERS OR PHOTOINITIATORS CIBA-GEIGY CORPORATION (US) 1983-05-24 — — US disclosed
US-4363917-A SENSITIZERS FOR PHOTOCROSSLINKABLE POLYMERS; PHOTOPOLYMERIZATION INITIATORS CIBA-GEIGY CORPORATION (US) 1982-12-14 — — US disclosed
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