SCHEMBL15701237

SCHEMBL15701237

C=C(F)/C=C\C(=C/CNC(=O)Cc1ccc(NC(=O)c2cscn2)nc1)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RAB9A P51151 1/20 0.31
MALT1 Q9UDY8 1/20 0.30
WNT3A P56704 1/20 0.30

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
SCHEMBL15701059 0.76 DEGS1 (0.43) MAP3K5
SCHEMBL15701250 0.74 BACE1 (0.42) MEN1KMT2ARAB9A
SCHEMBL15701124 0.72 NR2E1 (0.44) MEN1KMT2ARAB9A
SCHEMBL15701236 0.71 P2RX7 (0.45) WNT3A
SCHEMBL17148323 0.69 CSNK1D (0.43) MEN1KMT2A
SCHEMBL15701255 0.69 GRM4 (0.49) MEN1KMT2A
SCHEMBL15701080 0.69 NPC1 (0.54) MEN1KMT2ARAB9A
SCHEMBL19446766 0.67 KMT2A (0.56) MEN1KMT2ARAB9A
SCHEMBL15701218 0.66 PSEN1 (0.53) MEN1KMT2ARAB9A
SCHEMBL15701127 0.65 RAB9A (0.54) MEN1KMT2ARAB9A

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-2014070979-A1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-08 WO disclosed