SCHEMBL19686523

SCHEMBL19686523

CNNc1nc(Cl)cc(NC2CCC(F)(F)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 17/20 0.44
IDH2 P48735 4/20 0.43
OPRK1 P41145 1/20 0.36
CCNT1 O60563 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL19687174 0.81 IDH1 (0.39) IDH1IDH2
SCHEMBL19687150 0.81 IDH1 (0.39) IDH1IDH2CCNT1
SCHEMBL19686814 0.80 IDH1 (0.44) IDH1IDH2CCNT1
SCHEMBL19687152 0.79 IDH1 (0.38) IDH1IDH2
SCHEMBL19687151 0.79 IDH1 (0.38) IDH1IDH2
SCHEMBL19687512 0.78 IDH1 (0.59) IDH1IDH2
SCHEMBL31127376 0.78 IDH1 (0.50) IDH1IDH2CCNT1
SCHEMBL21144001 0.78 IDH1 (0.50) IDH1IDH2CCNT1
SCHEMBL19686796 0.77 IDH1 (0.45) IDH1IDH2OPRK1CCNT1MEN1
SCHEMBL19687218 0.76 IDH1 (0.38) IDH1IDH2

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