SCHEMBL949480

SCHEMBL949480

CCCC(C(N)=O)c1cc(F)cc(-c2nnn[nH]2)c1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.30

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
SCHEMBL956332 0.82 CTSK (0.34) CTSA
SCHEMBL953930 0.82 APP (0.35) CTSA
SCHEMBL954662 0.78 KCNH2 (0.30)
SCHEMBL953932 0.69 CAPN1 (0.34)
SCHEMBL953933 0.68 CYP3A4 (0.40)
SCHEMBL949482 0.68 MPO (0.36)
SCHEMBL949484 0.67 SMN1; SMN2 (0.42)
SCHEMBL27658097 0.66 ALDH1A1 (0.45)
SCHEMBL949999 0.65 APP (0.36) CTSA
SCHEMBL7383797 0.64 SLC9A1 (0.31)

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
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 WO disclosed