SCHEMBL19687322

SCHEMBL19687322

Cc1cc(C)n(-c2nc(NC3CCC(F)(F)C3)cc(C(C)Oc3cc(C)nn3-c3cc(C4CC4)nc(NC4CCC(F)(F)CC4)n3)n2)n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNN2 Q9H2S1 1/20 0.40
KCNN3 Q9UGI6 1/20 0.40
IDH1 O75874 11/20 0.35
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL19686295 0.81 KCNN2 (0.47) KCNN2KCNN3ADORA2AADORA1LMNA
SCHEMBL19687321 0.81 IDH1 (0.47) IDH1
SCHEMBL19687323 0.81
SCHEMBL19686305 0.79 KCNN2 (0.53) KCNN2KCNN3IDH1ADORA2AADORA1
SCHEMBL21144444 0.79 IDH1 (0.46) KCNN2KCNN3IDH1
SCHEMBL19686913 0.79 KCNN2 (0.44) KCNN2KCNN3ADORA2AADORA1LMNA
SCHEMBL19686522 0.77 KCNN2 (0.58) KCNN2KCNN3IDH1ADORA2AADORA1
SCHEMBL19687072 0.77 KCNN2 (0.53) KCNN2KCNN3IDH1ADORA2AADORA1
SCHEMBL19686589 0.77 KCNN3 (0.52) KCNN2KCNN3IDH1ADORA2AADORA1
SCHEMBL19686510 0.76 KCNN2 (0.51) KCNN2KCNN3ADORA2AADORA1LMNA

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-2017139697-A9 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC, INC. (US) 2017-12-07 WO disclosed