SCHEMBL21235170

SCHEMBL21235170

CC(=O)c1cc(CC2=CC=C(C#N)C=CC2)c(Cl)c(C)n1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL18756686 0.71 IDH1 (0.40) SMN1; SMN2
SCHEMBL18756053 0.66 RAB9A (0.38) —
SCHEMBL18756583 0.62 ALDH1A1 (0.46) KDM4ESMN1; SMN2
SCHEMBL18756126 0.59 GRM2 (0.42) KDM4ESMN1; SMN2
SCHEMBL18756168 0.58 CHRM1 (0.45) —
SCHEMBL21235232 0.57 CHRM1 (0.47) —
SCHEMBL26129942 0.55 TTR (0.40) KDM4ESMN1; SMN2
SCHEMBL4574258 0.53 MAPT (0.44) SMN1; SMN2
SCHEMBL23112473 0.51 KDM4E (0.39) KDM4ESMN1; SMN2
SCHEMBL17440744 0.51 SMN1; SMN2 (0.39) SMN1; SMN2

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-3156397-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-08-07 — — EP disclosed
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