SCHEMBL3723729

SCHEMBL3723729

CCNc1ccc2nc(Oc3ccc(OCC)c(Cl)c3)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.40
MAPT P10636 6/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 2/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
RAB9A P51151 1/20 0.35
BCL6 P41182 1/20 0.35
ACACB O00763 1/20 0.35
PGK1 P00558 2/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
EHMT2 Q96KQ7 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SCN7A Q01118 1/20 0.34
KCNH2 Q12809 1/20 0.34
APP P05067 1/20 0.34

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
SCHEMBL3717278 0.92 CSNK2A1 (0.39) MAPTKMT2AMEN1HPGDMAPK1
SCHEMBL3720104 0.91 ACACB (0.43) RORCMAPTKMT2AMEN1LMNA
SCHEMBL3720733 0.88 ACACB (0.39) MAPTACACBEGFRERBB2
SCHEMBL3719949 0.87 RORC (0.39) RORCMAPTHPGDATML3MBTL1
SCHEMBL3726082 0.87 MAPT (0.37) MAPTKMT2AMEN1HPGDMAPK1
SCHEMBL3721905 0.85 EPHA2 (0.38) HPGDACACBEGFRERBB2
SCHEMBL3718572 0.85 PNLIP (0.40) MAPTLMNAHPGDMAPK1ATM
SCHEMBL3725385 0.83 MAPT (0.43) MAPTHPGDATML3MBTL1ACACB
SCHEMBL3720773 0.83 P2RX3 (0.41) RORCMAPTHPGDATML3MBTL1
SCHEMBL3718624 0.81 ACACB (0.46) MAPTHPGDATML3MBTL1ACACB

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