SCHEMBL24918929

SCHEMBL24918929

Cc1nc(N2CC(C)C(F)(F)C2)ncc1Cn1cc(C(=O)O)c(C)n1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 13/20 0.35
ALKBH1 Q13686 1/20 0.35
RBP4 P02753 1/20 0.34
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.30
CASP1 P29466 1/20 0.30
MAP3K12 Q12852 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
SCHEMBL21736635 0.85 KLKB1 (0.45) KLKB1ALKBH1RBP4POLBSMN1; SMN2
SCHEMBL21736872 0.82 KLKB1 (0.47) KLKB1ALKBH1RBP4
SCHEMBL21736873 0.82 KLKB1 (0.36) KLKB1ALKBH1RBP4POLBSMN1; SMN2
SCHEMBL21736621 0.75 KLKB1 (0.45) KLKB1
SCHEMBL21736738 0.75 KLKB1 (0.49) KLKB1RBP4
SCHEMBL24918413 0.74 KLKB1 (0.46) KLKB1
SCHEMBL24918819 0.74 KLKB1 (0.48) KLKB1
SCHEMBL21736732 0.71 KLKB1 (0.40) KLKB1POLBSMN1; SMN2
SCHEMBL21736620 0.71 KLKB1 (0.47) KLKB1RBP4
SCHEMBL21736879 0.71 KLKB1 (0.46) KLKB1ALKBH1

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-3863713-B1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-01-25 EP disclosed