SCHEMBL10933322

SCHEMBL10933322

CC(=O)N1C[S+]([O-])c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.45
▸ SNCA P37840 3/20 0.44
▸ MAPT P10636 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ HTT P42858 1/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HPGD P15428 1/20 0.40

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
SCHEMBL8226390 0.77 SNCA (0.56) LMNASNCAMAPTKDM4ESMN1; SMN2
SCHEMBL615623 0.72 NOTUM (0.61) LMNAMAPTHTTSIRT2MAPK1
SCHEMBL5711977 0.72 NOTUM (0.54) LMNASNCAMAPTKDM4ESMN1; SMN2
SCHEMBL1654554 0.71 NOTUM (0.57) LMNASNCAMAPTKDM4ESMN1; SMN2
SCHEMBL10980677 0.71 NOTUM (0.50) LMNAMAPTHPGD
SCHEMBL11632056 0.70 DPP7 (0.39) LMNASNCAMAPTKDM4EALDH1A1
SCHEMBL29358148 0.70 MAPT (0.45) LMNASNCAMAPTKDM4ESMN1; SMN2
SCHEMBL28360647 0.70 NOTUM (0.56) LMNASNCAMAPTKDM4ESMN1; SMN2
SCHEMBL2062244 0.70 NOTUM (0.48) LMNASNCAMAPTKDM4ESMN1; SMN2
SCHEMBL981641 0.70 NOTUM (0.60) LMNAMAPTSMN1; SMN2ALDH1A1HTT

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
JP-60105604-A — — None — — JP disclosed
JP-S60105604-A AGRICULTURAL AND HORTICULTURAL FUNGICIDE IDEMITSU KOSAN CO LTD 1985-06-11 — — JP disclosed
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