SCHEMBL10722385

SCHEMBL10722385

CCOC(=O)c1cccc(S(=O)(=O)N(C)OC)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CA2 P00918 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46

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
SCHEMBL3938764 0.81 SMN1; SMN2 (0.53) MAPTCYP2C19ALDH1A1LMNASMN1; SMN2
SCHEMBL29015042 0.81 MAPT (0.53) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL31455595 0.80 CYP4F2 (0.52) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8115498 0.80 TSHR (0.55) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8114167 0.80 CYP4F2 (0.52) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL397968 0.79 CYP4F2 (0.51) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL132039 0.79 CA2 (0.64) MEN1KMT2ATSHRCA2
SCHEMBL28448724 0.77 CA2 (0.53) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
Lithium Ion SCHEMBL28897638 0.77 CA2 (0.53) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29427226 0.77 CYP4F2 (0.63) CYP1A2CYP2C9CYP2C19ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4673686-A CNS MODIFIERS, ANTI-APOMORPHINE ANTIENETIC ACITIVTY/ SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLE DE L'ILE DE FRANCE (FR) 1987-06-16 — — US disclosed
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