SCHEMBL10831575

SCHEMBL10831575

CCOC(=O)c1cc([N+](=O)[O-])cc2c1Cc1ccccc1[S+]2[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ CACNA1F O60840 2/20 0.40
▸ CACNA1D Q01668 2/20 0.40
▸ CACNA1S Q13698 2/20 0.40
▸ CACNA1C Q13936 2/20 0.40
▸ ADORA3 P0DMS8 2/20 0.40
▸ MAPT P10636 4/20 0.39
▸ HIF1A Q16665 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ GPR55 Q9Y2T6 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
SCHEMBL10941810 0.88 ALDH1A1 (0.36) NPC1MAPTMEN1KMT2ALMNA
SCHEMBL11165237 0.88 LMNA (0.40) NPC1MAPTHIF1AMEN1CYP1A2
SCHEMBL10939093 0.85 ALDH1A1 (0.34) CACNA1FCACNA1DCACNA1SCACNA1CMAPT
SCHEMBL10830507 0.85 TSHR (0.36) SMN1; SMN2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9456118 0.84 TSHR (0.50) SMN1; SMN2MAPTMEN1CYP1A2CYP3A4
SCHEMBL51941 0.84 ALDH1A1 (0.43) SMN1; SMN2NPC1MAPTMEN1CYP1A2
SCHEMBL51134 0.84 TSHR (0.41) MAPTMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL10939109 0.83 HSP90AA1 (0.45) SMN1; SMN2NPC1MAPTMEN1CYP1A2
SCHEMBL9455916 0.83 TSHR (0.40) SMN1; SMN2MAPTMEN1CYP1A2CYP3A4
SCHEMBL51834 0.83 TSHR (0.40) SMN1; SMN2NPC1MAPTMEN1KMT2A

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-4564578-A PHOTOSENSITIVE EPOXY RESINS CIBA-GEIGY CORPORATION (US) 1986-01-14 — — US disclosed
US-4560643-A BLEND OF AROMATIC KETONE, POLYMER, AND GROUP IB OR EIGHT METAL SALT CIBA GEIGY CORPORATION (US) 1985-12-24 — — US disclosed
US-4385182-A SENSITIZERS OR PHOTOINITIATORS CIBA-GEIGY CORPORATION (US) 1983-05-24 — — US disclosed
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