SCHEMBL28867655

SCHEMBL28867655

O=CS(=O)(=O)c1nncc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ TP53 P04637 4/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ LMNA P02545 4/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ GOT1 P17174 2/20 0.42
▸ MPO P05164 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ PKM P14618 2/20 0.42
▸ MAOA P21397 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ AOX1 Q06278 1/20 0.42
▸ ACOX1 Q15067 1/20 0.42
▸ EGFR P00533 8/20 0.41
▸ KDR P35968 8/20 0.41

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
SCHEMBL27740679 0.80 LMNA (0.46) NPC1RAB9ATP53SMN1; SMN2LMNA
SCHEMBL17748120 0.79 EGFR (0.54) NPC1RAB9ATP53SMN1; SMN2LMNA
SCHEMBL29178078 0.79 LMNA (0.44) NPC1RAB9ATP53SMN1; SMN2LMNA
Phthalazinone SCHEMBL28826169 0.73 EGFR (0.40) NPC1RAB9ATP53SMN1; SMN2LMNA
SCHEMBL224748 0.71 NPC1 (0.47) NPC1RAB9ATP53SMN1; SMN2LMNA
SCHEMBL276918 0.67 LMNA (0.52) NPC1RAB9ATP53SMN1; SMN2LMNA
Sulfuric Acid SCHEMBL3440665 0.67 ALDH1A1 (0.43) NPC1RAB9ATP53SMN1; SMN2LMNA
Formic Acid SCHEMBL30493146 0.67 KDM4E (0.47) NPC1RAB9ATP53SMN1; SMN2LMNA
SCHEMBL30523852 0.66 KDM4E (0.55) NPC1RAB9ATP53SMN1; SMN2LMNA
SCHEMBL1673296 0.66 KDM4E (0.55) NPC1RAB9ATP53SMN1; SMN2LMNA

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
CN-109068998-A For detecting the EAB biosensor of sweat analyte 外分泌腺系统公司 2018-12-21 — — CN disclosed
Send feedback