SCHEMBL19686884

SCHEMBL19686884

CNC(=O)C(Nc1cc(Cl)nc(NC2CCC(F)(F)CC2)c1)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 10/20 0.45
IDH2 P48735 3/20 0.37
CNR1 P21554 3/20 0.35
PRCP P42785 1/20 0.34
BTK Q06187 1/20 0.32
MAPK1 P28482 1/20 0.32
ABCB1 P08183 1/20 0.32
MAPK3 P27361 1/20 0.32
CYP2C9 P11712 1/20 0.31
NPR3 P17342 1/20 0.31
CYP2C19 P33261 1/20 0.31
CCNT1 O60563 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
SCHEMBL19686878 0.89 IDH1 (0.45) IDH1IDH2CNR1PRCPMAPK1
SCHEMBL21143813 0.78 IDH1 (0.41) IDH1IDH2CNR1MAPK1MAPK3
SCHEMBL19686885 0.78 IDH1 (0.38) IDH1IDH2MAPK1
SCHEMBL21166186 0.75 IDH1 (0.41) IDH1IDH2CNR1MAPK1
SCHEMBL31127253 0.75 IDH1 (0.41) IDH1IDH2CNR1MAPK1
SCHEMBL21143647 0.74 IDH1 (0.45) IDH1IDH2CNR1PRCP
SCHEMBL19686875 0.73 IDH1 (0.47) IDH1IDH2CNR1CCNT1
SCHEMBL21144001 0.72 IDH1 (0.50) IDH1IDH2CCNT1
SCHEMBL31127376 0.72 IDH1 (0.50) IDH1IDH2CCNT1
SCHEMBL21143786 0.70 IDH1 (0.46) IDH1IDH2CCNT1

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