SCHEMBL17064644

SCHEMBL17064644

Cc1cc(C(=O)CI)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.42
GSK3B P49841 1/20 0.41
PROKR1 Q8TCW9 2/20 0.39
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
FFAR1 O14842 1/20 0.37
KDM4A O75164 2/20 0.36
KDM5C P41229 2/20 0.36
KDM5B Q9UGL1 2/20 0.36
CCNC P24863 2/20 0.36
CDK8 P49336 2/20 0.36
KDM4B O94953 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KDM6B O15054 1/20 0.36
TET3 O43151 1/20 0.36
BBOX1 O75936 1/20 0.36

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
SCHEMBL362870 0.83 UHRF1 (0.43) UHRF1PROKR1SMARCA2SMARCA4HDAC3
SCHEMBL12672263 0.81 UHRF1 (0.42) UHRF1PROKR1SMARCA2SMARCA4HDAC3
SCHEMBL1884527 0.81 GSK3B (0.50) UHRF1GSK3BPROKR1SMARCA2SMARCA4
SCHEMBL29740179 0.81 GSK3B (0.50) UHRF1GSK3BPROKR1SMARCA2SMARCA4
SCHEMBL29740180 0.81 GSK3B (0.50) UHRF1GSK3BPROKR1SMARCA2SMARCA4
Hydrochloric Acid SCHEMBL1924951 0.80 UHRF1 (0.41) UHRF1PROKR1SMARCA2SMARCA4HDAC3
Hydrochloric Acid SCHEMBL14676437 0.80 GSK3B (0.48) UHRF1GSK3BPROKR1SMARCA2SMARCA4
Bromide SCHEMBL14676183 0.80 GSK3B (0.48) UHRF1GSK3BPROKR1SMARCA2SMARCA4
Bromide SCHEMBL23407677 0.79 GSK3B (0.47) UHRF1GSK3BPROKR1SMARCA2SMARCA4
SCHEMBL3356107 0.78 UHRF1 (0.50) UHRF1PROKR1SMARCA2SMARCA4HDAC3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3113772-A1 HUMAN PLASMA KALLIKREIN INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2017-01-11 EP disclosed
WO-2015134998-A1 HUMAN PLASMA KALLIKREIN INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2015-09-11 WO disclosed