SCHEMBL3720089

SCHEMBL3720089

NCCc1ccc2nc(Oc3ccc(OCC4CC4)cc3)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TEC P42680 1/20 0.37
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
SCN7A Q01118 3/20 0.36
ACACB O00763 2/20 0.36
ACACA Q13085 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
LRRK2 Q5S007 1/20 0.35
KCNH2 Q12809 1/20 0.35
CHEK2 O96017 1/20 0.35

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
SCHEMBL3717025 0.94 PARP10 (0.40) PARP15PARP10SCN7AACACBKCNH2
SCHEMBL3718627 0.86 ACACB (0.43) TECACACBACACA
SCHEMBL3720734 0.86 GLA (0.43) TECACACBACACA
SCHEMBL3717503 0.86 KCNH2 (0.36) SCN7AKCNH2
SCHEMBL3720928 0.86 SCN7A (0.38) TECPARP15PARP10PARP2SCN7A
SCHEMBL3726999 0.86 GPR4 (0.39) SCN7AACACBACACASLC6A2SLC6A4
SCHEMBL3719580 0.84 ACACB (0.38) PARP15PARP10PARP2SCN7AACACB
SCHEMBL3728071 0.83 MET (0.33) TEC
SCHEMBL3720365 0.82 MAPT (0.41) TEC
SCHEMBL3720042 0.82 MAP4K4 (0.48) SCN7AKCNH2

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