SCHEMBL29096740

SCHEMBL29096740

CC(Cc1nc2ccccc2s1)CS(=O)(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ APEX1 P27695 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ HPGD P15428 3/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ UBE2T Q9NPD8 1/20 0.47
▸ ASIC3 Q9UHC3 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ ALOX15 P16050 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ LOXL2 Q9Y4K0 1/20 0.46
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ GAA P10253 1/20 0.45

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
SCHEMBL2134712 0.87 UBE2T (0.50) SMN1; SMN2RAB9ANPC1HPGDCYP1A2
SCHEMBL292002 0.83 SMN1; SMN2 (0.50) SMN1; SMN2RAB9AAPEX1NPC1HPGD
SCHEMBL8761443 0.81 DYRK1A (0.44) —
SCHEMBL11382409 0.80 SMN1; SMN2 (0.58) SMN1; SMN2RAB9ANPC1HPGDCYP1A2
SCHEMBL9222555 0.79 UBE2T (0.50) SMN1; SMN2RAB9ANPC1HPGDCYP1A2
SCHEMBL12213527 0.79 UBE2T (0.56) SMN1; SMN2RAB9ANPC1HPGDCYP1A2
SCHEMBL29690519 0.79 UBE2T (0.56) SMN1; SMN2RAB9ANPC1HPGDCYP1A2
SCHEMBL2662248 0.78 UBE2T (0.59) SMN1; SMN2RAB9ANPC1HPGDCYP1A2
SCHEMBL28114059 0.78 CYP1A2 (0.50) SMN1; SMN2RAB9ANPC1HPGDCYP1A2
SCHEMBL28795915 0.77 SMN1; SMN2 (0.69) SMN1; SMN2RAB9ANPC1HPGDCYP1A2

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-115650934-B Fluorescent molecular probe for detecting pyrophosphoric acid and alkaline phosphatase and application thereof 国家卫生健康委职业安全卫生研究中心(国家卫生健康委煤炭工业职业医学研究中心) 2023-10-20 — — CN disclosed
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