SCHEMBL11064000

SCHEMBL11064000

O=C1OC(=S)c2cc([N+](=O)[O-])cc(-c3ccccc3)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ PTGS2 P35354 2/20 0.42
▸ RAB9A P51151 5/20 0.40
▸ POLB P06746 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ PTPRC P08575 3/20 0.40
▸ S100A4 P26447 2/20 0.40
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPT P10636 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ HPGD P15428 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
SCHEMBL11063998 0.90 PTGS2 (0.43) ALDH1A1PTGS2RAB9APOLBTDP1
SCHEMBL10733203 0.76 TTR (0.41) ALDH1A1POLBTDP1PTPRCBCHE
SCHEMBL11067177 0.75 MEN1 (0.43) ALDH1A1PTGS2RAB9APOLBTDP1
SCHEMBL5925223 0.75 ALDH1A1 (0.53) ALDH1A1PTGS2RAB9APOLBTDP1
SCHEMBL11287364 0.73 ALDH1A1 (0.44) ALDH1A1RAB9APOLBTDP1PTPRC
SCHEMBL16586317 0.73 TDP1 (0.55) ALDH1A1PTGS2RAB9APOLBTDP1
SCHEMBL6775236 0.71 PTGS2 (0.54) ALDH1A1PTGS2RAB9APOLBTDP1
SCHEMBL2437022 0.71 CRHBP (0.55) ALDH1A1PTGS2RAB9APOLBTDP1
SCHEMBL6391559 0.69 PTGS2 (0.69) ALDH1A1PTGS2RAB9APOLBTDP1
SCHEMBL28207049 0.69 PTGS2 (0.73) ALDH1A1PTGS2RAB9APOLBTDP1

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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