SCHEMBL5181631

SCHEMBL5181631

Cc1ccc(NC(=S)NN=Cc2ccc([N+](=O)[O-])s2)c(C)c1.Cc1ccc(NC(=S)NN=Cc2ncc[nH]2)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 17/20 0.58
▸ SMN1; SMN2 Q16637 12/20 0.58
▸ LMNA P02545 7/20 0.58
▸ MEN1 O00255 5/20 0.58
▸ KMT2A Q03164 5/20 0.58
▸ ALDH1A1 P00352 5/20 0.58
▸ ALOX12 P18054 3/20 0.58
▸ HSP90AA1 P07900 2/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ HPGD P15428 2/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ HTT P42858 10/20 0.57
▸ TDP1 Q9NUW8 3/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ CYP2C19 P33261 2/20 0.57
▸ GAA P10253 2/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ CCR6 P51684 1/20 0.57
▸ MCL1 Q07820 1/20 0.55

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
SCHEMBL5180351 0.89 MAPT (0.73) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5180345 0.89 MAPT (0.73) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5180278 0.85 MAPT (0.60) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5180284 0.85 MAPT (0.60) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5179613 0.70 LMNA (0.60) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5179611 0.70 LMNA (0.60) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5181450 0.68 MAPT (0.64) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5182238 0.68 MAPT (0.64) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5181626 0.68 MEN1 (0.74) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5181623 0.68 MEN1 (0.74) MAPTSMN1; SMN2LMNAMEN1KMT2A

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
EP-1399159-A4 4-SUBSTITUTED-1-(ARYLMETHYLIDENE)THIOSEMICARBAZIDE, 4-SUBSTITUTED-1-(ARYLCARBONYL)THIOSEMICARBAZIDE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2007-02-14 — — EP claimed
EP-1399159-A1 4-SUBSTITUTED-1-(ARYLMETHYLIDENE)THIOSEMICARBAZIDE, 4-SUBSTITUTED-1-(ARYLCARBONYL)THIOSEMICARBAZIDE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2004-03-24 — — EP claimed
WO-2002098420-A1 4-SUBSTITUTED-1-(ARYLMETHYLIDENE)THIOSEMICARBAZIDE, 4-SUBSTITUTED-1-(ARYLCARBONYL)THIOSEMICARBAZIDE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2002-12-12 — — WO claimed
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