SCHEMBL8788804

SCHEMBL8788804

O=C1CSCN1c1cc(C(F)(F)F)ncn1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.41
CHKA P35790 1/20 0.41
MAPT P10636 1/20 0.36
P2RX7 Q99572 3/20 0.36
ALDH1A1 P00352 1/20 0.33
LCAT P04180 2/20 0.33
PARP1 P09874 1/20 0.33
ACACB O00763 1/20 0.32
EGLN2 Q96KS0 1/20 0.31
AR P10275 1/20 0.30
DPP4 P27487 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
SCHEMBL8788310 0.75 AR (0.46) MAPTPARP1ACACBAR
SCHEMBL8788103 0.75 ADRB1 (0.47) MAPTALDH1A1LCATEGLN2
SCHEMBL8787612 0.73 P2RX7 (0.38) CA2CHKAP2RX7LCATPARP1
SCHEMBL8788652 0.71 MAPT (0.50) MAPTALDH1A1DPP4
SCHEMBL8788549 0.69 LCAT (0.42) CA2CHKAP2RX7ALDH1A1LCAT
SCHEMBL8090313 0.67 MAPT (0.44) MAPTALDH1A1
Formic Acid SCHEMBL27795592 0.66 P2RX7 (0.41) CA2CHKAP2RX7ALDH1A1LCAT
SCHEMBL17723675 0.65 PIM1 (0.37) CA2CHKAP2RX7LCATPARP1
SCHEMBL8787841 0.65 CYP11B2 (0.40) MAPTLCATACACB
SCHEMBL27264896 0.64 CA2 (0.68) CA2CHKAALDH1A1AR

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-0763020-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1997-03-19 EP disclosed
WO-1995033719-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1995-12-14 WO disclosed