SCHEMBL5244842

SCHEMBL5244842

CCNC(=O)c1ccc(-n2nnc(C(=O)NCc3ccc4c(c3)nnn4C)c2CSC)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.51
▸ MAPT P10636 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KLKB1 P03952 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HCAR3 P49019 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ SMO Q99835 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RECQL P46063 1/20 0.36

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
SCHEMBL5245295 0.84 LMNA (0.44) MAPTHPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL5244269 0.84 CNR1 (0.49) LMNA
SCHEMBL5244456 0.83 LMNA (0.57) POLBMAPTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL5244694 0.83 HPGD (0.48) MAPTHPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL3109229 0.83 SMN1; SMN2 (0.48) ALDH1A1HSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL5246092 0.82 EPHX2 (0.53) L3MBTL1LMNARAB9AMEN1KMT2A
SCHEMBL5249308 0.82 RIPK1 (0.46) MAPTHPGDALDH1A1LMNAMEN1
SCHEMBL5248482 0.82 MEN1 (0.55) POLBMAPTHPGDALDH1A1HSD17B10
SCHEMBL5244114 0.82 CCR1 (0.43) MAPTHPGDALDH1A1LMNAMEN1
SCHEMBL5244366 0.82 CCR1 (0.45) MAPTALDH1A1TP53LMNAMEN1

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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