SCHEMBL5246807

SCHEMBL5246807

C=CCCCOc1cc(C(=O)NCC)ccc1-n1cc(C(=O)NC(C)(C)C)nn1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 13/20 0.38
▸ BRD2 P25440 1/20 0.33
▸ BRD3 Q15059 1/20 0.33
▸ BRDT Q58F21 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 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
SCHEMBL5243897 0.93 BRD4 (0.36) BRD4
SCHEMBL5244665 0.91 NOTUM (0.34) POLBMAPT
SCHEMBL5244377 0.89 BRD4 (0.38) BRD4
SCHEMBL3120217 0.89 BRD4 (0.39) BRD4BRD2BRD3BRDT
SCHEMBL5243944 0.88 SMPD1 (0.39) BRD4
SCHEMBL5244405 0.87 KMT2A (0.38) BRD4MAPT
SCHEMBL5247498 0.87 SMPD1 (0.39) BRD4POLB
SCHEMBL5244829 0.87 BRD4 (0.37) BRD4
SCHEMBL5248117 0.87 BRD4 (0.38) BRD4BRD2BRD3BRDT
SCHEMBL5247607 0.86 KMT2A (0.43) MAPT

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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