SCHEMBL13728541

SCHEMBL13728541

O=C(c1ccncn1)c1ccccc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.54
CTNNB1 P35222 2/20 0.49
WNT3A P56704 2/20 0.49
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
KMO O15229 2/20 0.43
P2RX7 Q99572 2/20 0.41
SCD O00767 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
RBP4 P02753 1/20 0.38
LTC4S Q16873 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
RORB Q92753 1/20 0.37

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
Hydrochloric Acid SCHEMBL10668868 0.81 CTNNB1 (0.67) CNR2CTNNB1WNT3ALMNAGAA
SCHEMBL20892581 0.77 CNR2 (0.58) CNR2CTNNB1WNT3ALMNAGAA
SCHEMBL746794 0.76 LMNA (0.64) CNR2CTNNB1WNT3ALMNAGAA
Ammonia Solution, Strong SCHEMBL20302253 0.75 KDM4E (0.56) GAAP2RX7SMN1; SMN2MEN1ALDH1A1
SCHEMBL13729313 0.75 CTNNB1 (0.46) CTNNB1WNT3AKMOP2RX7RBP4
SCHEMBL28815055 0.74 LMNA (0.62) CNR2CTNNB1WNT3ALMNAGAA
SCHEMBL28171086 0.74 P2RX7 (0.61) CTNNB1WNT3AP2RX7MEN1KMT2A
SCHEMBL5313203 0.72 CNR2 (0.53) CNR2CTNNB1WNT3ALMNAGAA
SCHEMBL24977123 0.72 KMT2A (0.58) LMNAGAAP2RX7MEN1ALDH1A1
SCHEMBL7068751 0.72 KMT2A (0.63) CNR2P2RX7SMN1; SMN2MEN1ALDH1A1

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-2012151567-A1 PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2012-11-08 WO disclosed