SCHEMBL1114207

SCHEMBL1114207

Oc1c(Cl)cc(C2N=CN(Cc3ccc(C(F)(F)F)cc3)O2)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.35
PRKACA P17612 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 1/20 0.35
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34
OPRL1 P41146 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
OPRM1 P35372 1/20 0.33
CCR9 P51686 1/20 0.33
P2RX3 P56373 1/20 0.33
EGLN2 Q96KS0 2/20 0.32
EGLN1 Q9GZT9 2/20 0.32
EGLN3 Q9H6Z9 2/20 0.32
CYSLTR2 Q9NS75 1/20 0.32
P2RX7 Q99572 1/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL1114223 0.89 P2RX7 (0.39) KDM4EALDH1A1P2RX7
SCHEMBL1114748 0.79 HSD17B13 (0.40) CHRM5P2RX7
SCHEMBL1114291 0.75 CETP (0.35) P2RX3P2RX7
SCHEMBL1114208 0.64 KDM4E (0.36) SRCPRKACAPRKACGPRKACBCHRM5
SCHEMBL4505012 0.63 HDAC1 (0.44) SRCPRKACAPRKACGPRKACBCCR9
SCHEMBL5600053 0.60 ALDH1A1 (0.50) KDM4EALDH1A1P2RX7HIF1A
SCHEMBL5226626 0.58 CYP19A1 (0.57) ALDH1A1
SCHEMBL16856741 0.58 HDAC6 (0.47) CHRM5CHRM3OPRL1KDM4EALDH1A1
SCHEMBL4353993 0.58 MTOR (0.67)
SCHEMBL4357497 0.58 MEN1 (0.61) ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2278879-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING OXADIAZOLE DERIVATIVES Institute for OneWorld Health (US) 2011-02-02 EP disclosed
WO-2009131957-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 WO disclosed