SCHEMBL5244456

SCHEMBL5244456

CCNC(=O)c1ccc(-n2nnc(C(=O)NCc3ccc(F)cc3)c2CSC)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.57
▸ MAPT P10636 2/20 0.45
▸ HDAC1 Q13547 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ SMO Q99835 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ MIF P14174 1/20 0.41
▸ CXCR4 P61073 1/20 0.41
▸ ALDH1A1 P00352 1/20 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
SCHEMBL5249308 0.91 RIPK1 (0.46) LMNAMAPTSMOMIFALDH1A1
SCHEMBL5246999 0.91 HDAC1 (0.46) LMNAMAPTHDAC1EPHX2PPARG
SCHEMBL5244694 0.90 HPGD (0.48) LMNAMAPTHDAC1SMN1; SMN2MIF
SCHEMBL5245295 0.90 LMNA (0.44) LMNAMAPTSMOSMN1; SMN2EPHX2
SCHEMBL5246092 0.90 EPHX2 (0.53) LMNAL3MBTL1EPHX2
SCHEMBL5244366 0.89 CCR1 (0.45) LMNAMAPTALDH1A1
SCHEMBL5249263 0.89 LMNA (0.45) LMNAHDAC1SMOALDH1A1
SCHEMBL5244114 0.87 CCR1 (0.43) LMNAMAPTHDAC1ALDH1A1
SCHEMBL5248039 0.87 EPHX2 (0.51) LMNAL3MBTL1SMN1; SMN2EPHX2PPARG
SCHEMBL5245644 0.87 LMNA (0.41) LMNAMAPTMIFALDH1A1

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
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 — — EP disclosed
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