SCHEMBL19686517

SCHEMBL19686517

Cc1cc(NC2CCC(F)(F)CC2)nc(-c2nc(CCC(C)(C)[Si](C)(C)O)cs2)n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 16/20 0.45
IDH2 P48735 2/20 0.39
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL19686321 0.83 IDH1 (0.47) IDH1IDH2LMNAMEN1KMT2A
SCHEMBL19687198 0.82 IDH1 (0.47) IDH1IDH2LMNAMEN1KMT2A
SCHEMBL19686340 0.82 IDH1 (0.47) IDH1IDH2LMNAMEN1KMT2A
SCHEMBL19686338 0.82 IDH1 (0.51) IDH1IDH2LMNAMEN1KMT2A
SCHEMBL19686520 0.81 IDH1 (0.46) IDH1IDH2LMNAMEN1KMT2A
SCHEMBL19686317 0.78 IDH1 (0.69) IDH1IDH2
SCHEMBL20399597 0.77 IDH1 (0.44) IDH1IDH2
SCHEMBL31127045 0.77 IDH1 (0.46) IDH1IDH2LMNAMEN1KMT2A
SCHEMBL21143683 0.77 IDH1 (0.46) IDH1IDH2LMNAMEN1KMT2A
SCHEMBL19687389 0.76 IDH1 (0.57) IDH1IDH2LMNAMEN1KMT2A

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