SCHEMBL8088154

SCHEMBL8088154

Nc1cc(Cl)ccc1N1CCc2ncnc(Cl)c2C1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
POLB P06746 1/20 0.46
P2RX3 P56373 15/20 0.45
P2RX2 Q9UBL9 15/20 0.45

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
SCHEMBL8097905 0.89 KDM4E (0.46) KDM4EALDH1A1LMNAHTTPOLB
SCHEMBL8088148 0.88 P2RX3 (0.47) P2RX3P2RX2
SCHEMBL2861794 0.84 P2RX3 (0.61) P2RX3P2RX2
SCHEMBL8096800 0.76 P2RX3 (0.79) P2RX3P2RX2
SCHEMBL997980 0.75 P2RX3 (0.61) P2RX3
SCHEMBL2863803 0.74 P2RX3 (0.63) P2RX3P2RX2
SCHEMBL8096754 0.74 P2RX3 (0.80) P2RX3P2RX2
SCHEMBL8094929 0.74 P2RX3 (0.80) P2RX3P2RX2
SCHEMBL8104653 0.73 P2RX3 (0.80) P2RX3P2RX2
SCHEMBL14003523 0.73 P2RX3 (0.52) P2RX3P2RX2

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-2008130481-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2008-10-30 WO disclosed