SCHEMBL19686913

SCHEMBL19686913

Cc1cc(C)n(-c2nc(NC3CCC(F)(F)CC3)cc(C(C)Oc3cc(C)nn3-c3nc(CO)cc(NC4CCC(F)(F)CC4)n3)n2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN2 Q9H2S1 1/20 0.44
KCNN3 Q9UGI6 1/20 0.44
ALDH1A1 P00352 2/20 0.35
ADORA2A P29274 12/20 0.34
ADORA1 P30542 11/20 0.34
NPSR1 Q6W5P4 3/20 0.34
NR2F2 P24468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 3/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
S1PR2 O95136 1/20 0.33
XBP1 P17861 1/20 0.33
RAB9A P51151 1/20 0.33
PPP1CA P62136 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 2/20 0.33
ADORA3 P0DMS8 1/20 0.33

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 0.90 KCNN2 (0.47) KCNN2KCNN3ALDH1A1ADORA2AADORA1
SCHEMBL19686929 0.88 KCNN2 (0.56) KCNN2KCNN3ALDH1A1ADORA2AADORA1
SCHEMBL31127252 0.88 KCNN2 (0.56) KCNN2KCNN3ALDH1A1ADORA2AADORA1
SCHEMBL19687390 0.82 KCNN2 (0.51) KCNN2KCNN3ALDH1A1ADORA2AADORA1
SCHEMBL19687072 0.81 KCNN2 (0.53) KCNN2KCNN3ALDH1A1ADORA2AADORA1
SCHEMBL31127058 0.81 KCNN2 (0.54) KCNN2KCNN3ALDH1A1ADORA2AADORA1
SCHEMBL19686781 0.81 KCNN2 (0.54) KCNN2KCNN3ALDH1A1ADORA2AADORA1
SCHEMBL19686314 0.80 KCNN2 (0.56) KCNN2KCNN3ALDH1A1ADORA2AADORA1
SCHEMBL19686315 0.80 KCNN2 (0.56) KCNN2KCNN3ALDH1A1ADORA2AADORA1
SCHEMBL31127087 0.80 KCNN2 (0.56) KCNN2KCNN3ALDH1A1ADORA2AADORA1

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