SCHEMBL28015646

SCHEMBL28015646

O=C(O)c1cnc2ncccc2c1.[O]c1nccs1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 7/20 0.47
MGAM O43451 1/20 0.46
STAMBP O95630 6/20 0.42
COPS5 Q92905 5/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ACP1 P24666 1/20 0.38
PDE4A P27815 1/20 0.35
AKR1C3 P42330 1/20 0.34
ALDH1A1 P00352 1/20 0.34
APP P05067 1/20 0.34
GAA P10253 1/20 0.34
HCAR3 P49019 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
SPR P35270 1/20 0.34

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
SCHEMBL124592 0.86 MGAM (0.59) PSMD14MGAMSTAMBPCOPS5MEN1
SCHEMBL30392839 0.86 MGAM (0.59) PSMD14MGAMSTAMBPCOPS5MEN1
Hydrochloric Acid SCHEMBL7010614 0.84 MGAM (0.57) PSMD14MGAMSTAMBPCOPS5MEN1
Hydrochloric Acid SCHEMBL9378228 0.84 MGAM (0.57) PSMD14MGAMSTAMBPCOPS5MEN1
Water SCHEMBL8227338 0.77 ACP1 (0.51) PSMD14MGAMSTAMBPCOPS5MEN1
SCHEMBL27501111 0.73 MGAM (0.79) PSMD14MGAMMEN1KMT2ALMNA
SCHEMBL163182 0.72 PSMD14 (0.56) PSMD14MGAMSTAMBPCOPS5MEN1
Aspartic Acid SCHEMBL27878589 0.72 MGAM (0.43) PSMD14MGAMMEN1KMT2ALMNA
SCHEMBL21358078 0.71 PSMD14 (0.60) PSMD14MGAMSTAMBPCOPS5MEN1
Hydrochloric Acid SCHEMBL14966721 0.71 PSMD14 (0.55) PSMD14MGAMSTAMBPCOPS5MEN1

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
CN-104688732-A Methods of using sns-595 for treatment of cancer subjects with reduced brca2 activity SUNESIS PHARMACEUTICALS INC 2015-06-10 CN disclosed