SCHEMBL5247693

SCHEMBL5247693

CCNC(=O)c1ccc(-n2cc(C(=O)NCc3cc4ccccc4s3)nn2)c(OCCOCCF)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LOX P28300 4/20 0.40
▸ LOXL2 Q9Y4K0 4/20 0.40
▸ BRD4 O60885 4/20 0.36
▸ MIF P14174 3/20 0.36
▸ PRSS12 P56730 1/20 0.35
▸ APP P05067 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KLKB1 P03952 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NR2E3 Q9Y5X4 1/20 0.33
▸ NCOR2 Q9Y618 1/20 0.33

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
SCHEMBL5244601 0.91 LOX (0.40) LOXLOXL2MIFPRSS12APP
SCHEMBL5247626 0.86 MIF (0.48) MIFSMN1; SMN2KDM4EMAPTRAB9A
SCHEMBL5246767 0.86 MIF (0.47) BRD4MIFSMN1; SMN2
SCHEMBL5248284 0.86 NPSR1 (0.37) BRD4MIFPRSS12APP
SCHEMBL5250093 0.84 ROCK2 (0.41) BRD4MAPTRAB9A
SCHEMBL5248700 0.83 ROCK2 (0.41) BRD4MIFKLKB1MAPT
SCHEMBL5244706 0.83 ROCK2 (0.40) BRD4MIF
SCHEMBL5244462 0.82 MAPT (0.40) BRD4MIFSMN1; SMN2MAPT
SCHEMBL5248058 0.82 PRSS12 (0.36) BRD4MIFPRSS12KLKB1MAPT
SCHEMBL5246579 0.82 WDR5 (0.38) BRD4MIFAPPMAPT

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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