SCHEMBL3720104

SCHEMBL3720104

CCNc1ccc2nc(Oc3ccc(OCC)cc3Cl)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.43
MAPT P10636 5/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
EHMT2 Q96KQ7 1/20 0.36
KDM4E B2RXH2 2/20 0.36
NFKB1 P19838 2/20 0.36
POLB P06746 2/20 0.36
HSD17B10 Q99714 2/20 0.36
THRB P10828 1/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL3718572 0.91 PNLIP (0.40) ACACBMAPTHPGDGAAHTT
SCHEMBL3723729 0.91 RORC (0.40) ACACBMAPTHPGDGAAHTT
SCHEMBL3725385 0.89 MAPT (0.43) ACACBMAPTHPGDGAAHTT
SCHEMBL3718624 0.88 ACACB (0.46) ACACBMAPTHPGDGAAHTT
SCHEMBL3720773 0.87 P2RX3 (0.41) ACACBMAPTHPGDGAAHTT
SCHEMBL3717500 0.87 MAPT (0.39) MAPTATMKMT2AMEN1KDM4E
SCHEMBL3717278 0.86 CSNK2A1 (0.39) MAPTHPGDGAAHTTATM
SCHEMBL3719949 0.83 RORC (0.39) ACACBMAPTHPGDGAAHTT
SCHEMBL3720733 0.81 ACACB (0.39) ACACBMAPT
SCHEMBL3719337 0.81 HPGD (0.38) ACACBMAPTHPGDGAAHTT

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-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed