SCHEMBL19686347

SCHEMBL19686347

Cc1cc(C)n(-c2cc(N3CC(CO)(CO)C3)nc(NC3CCC(F)(F)CC3)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 13/20 0.39
IDH2 P48735 2/20 0.37
KCNN2 Q9H2S1 1/20 0.35
KCNN3 Q9UGI6 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
NR2F2 P24468 1/20 0.33
MAPK1 P28482 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
SCHEMBL19686365 0.87 IDH1 (0.48) IDH1IDH2KCNN2KCNN3SMN1; SMN2
SCHEMBL21165874 0.85 IDH1 (0.40) IDH1IDH2KCNN2KCNN3SMN1; SMN2
SCHEMBL19687311 0.84 IDH1 (0.39) IDH1IDH2KCNN2KCNN3SMN1; SMN2
SCHEMBL31127245 0.84 IDH1 (0.42) IDH1IDH2KCNN2KCNN3SMN1; SMN2
SCHEMBL21143969 0.84 IDH1 (0.42) IDH1IDH2KCNN2KCNN3SMN1; SMN2
SCHEMBL19686984 0.83 IDH1 (0.46) IDH1IDH2KCNN2KCNN3SMN1; SMN2
SCHEMBL31127339 0.83 IDH1 (0.46) IDH1IDH2KCNN2KCNN3SMN1; SMN2
SCHEMBL19687385 0.82 IDH1 (0.47) IDH1IDH2SMN1; SMN2LMNAGAA
SCHEMBL19687333 0.82 SMN1; SMN2 (0.53) IDH1IDH2SMN1; SMN2LMNAGAA
SCHEMBL19686357 0.81 IDH1 (0.40) IDH1IDH2KCNN2KCNN3SMN1; 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
WO-2017139697-A9 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC, INC. (US) 2017-12-07 WO disclosed