SCHEMBL5247626

SCHEMBL5247626

CCNC(=O)c1ccc(-n2cc(C(=O)NCc3cccs3)nn2)c(OCCOCCF)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 1/20 0.48
▸ RAB9A P51151 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ HPGD P15428 7/20 0.40
▸ ALDH1A1 P00352 6/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TP53 P04637 1/20 0.37

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
SCHEMBL5246911 0.92 NPC1 (0.45) MIFRAB9ASMN1; SMN2NPC1HPGD
SCHEMBL5244109 0.91 MIF (0.47) MIFRAB9ASMN1; SMN2NPC1HPGD
SCHEMBL5246767 0.87 MIF (0.47) MIFSMN1; SMN2HPGDALDH1A1GAA
SCHEMBL5244465 0.87 KDM4E (0.47) MIFRAB9ANPC1ALDH1A1KDM4E
SCHEMBL5245552 0.87 PDE10A (0.36) MIFMAPK1LMNA
SCHEMBL5248284 0.87 NPSR1 (0.37) MIFNPSR1
SCHEMBL5248464 0.86 BRD4 (0.35) MIFHPGDALDH1A1GAAMAPT
SCHEMBL5247693 0.86 LOX (0.40) MIFRAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL5250068 0.86 BRD4 (0.36) MIFMAPK1
SCHEMBL5248700 0.86 ROCK2 (0.41) MIFALDH1A1MAPTMEN1KMT2A

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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