SCHEMBL5244687

SCHEMBL5244687

C=CCCCOc1cc(C(=O)NCC)ccc1-n1cc(C(=O)NOCc2ccccc2)nn1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 14/20 0.44
▸ NOTUM Q6P988 1/20 0.37
▸ MIF P14174 2/20 0.35

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
SCHEMBL5244580 0.90 EPHX2 (0.35) BRD4NOTUMMIF
SCHEMBL5246360 0.88 BRD4 (0.45) BRD4NOTUMMIF
SCHEMBL5248477 0.88 BRD4 (0.47) BRD4
SCHEMBL3120217 0.86 BRD4 (0.39) BRD4NOTUM
SCHEMBL5245878 0.85 BRD4 (0.42) BRD4
SCHEMBL5244377 0.84 BRD4 (0.38) BRD4
SCHEMBL5243944 0.84 SMPD1 (0.39) BRD4
SCHEMBL5246807 0.84 BRD4 (0.38) BRD4
SCHEMBL5248452 0.83 BRD4 (0.36) BRD4
SCHEMBL5247507 0.83 SMPD1 (0.38) BRD4

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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