SCHEMBL11067177

SCHEMBL11067177

O=C1NC(=S)c2cc([N+](=O)[O-])cc(-c3ccccc3)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ TDP2 O95551 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ PTGS2 P35354 2/20 0.41
▸ POLB P06746 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ CAPN9 O14815 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.39

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 0.75 ALDH1A1 (0.44) MEN1KMT2ACHRM1TDP1SMN1; SMN2
SCHEMBL29589906 0.75 HDAC4 (0.41) TDP2LMNAMAPTGSK3BCASP3
SCHEMBL52297 0.75 HDAC4 (0.41) TDP2LMNAMAPTGSK3BCASP3
SCHEMBL11063998 0.74 PTGS2 (0.43) MEN1KMT2ACHRM1TDP1SMN1; SMN2
SCHEMBL16586317 0.72 TDP1 (0.55) MEN1KMT2ATDP1LMNAPTGS2
SCHEMBL2437022 0.70 CRHBP (0.55) MEN1KMT2ATDP1LMNAPTGS2
SCHEMBL6775236 0.70 PTGS2 (0.54) MEN1KMT2ATDP1LMNAPTGS2
SCHEMBL5925223 0.68 ALDH1A1 (0.53) MEN1KMT2ATDP1SMN1; SMN2LMNA
SCHEMBL6391559 0.68 PTGS2 (0.69) MEN1KMT2ATDP1CYP3A4LMNA
SCHEMBL28207049 0.68 PTGS2 (0.73) MEN1KMT2ATDP1CYP3A4LMNA

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-4480105-A PHOTOCROSSLINKING POLYMERS CIBA-GEIGY CORPORATION (US) 1984-10-30 — — US disclosed
US-4363917-A SENSITIZERS FOR PHOTOCROSSLINKABLE POLYMERS; PHOTOPOLYMERIZATION INITIATORS CIBA-GEIGY CORPORATION (US) 1982-12-14 — — US disclosed
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