SCHEMBL3720475

SCHEMBL3720475

CCNc1ccc2nc(Oc3ccc(SC(C)C)cc3Cl)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.37
HPGD P15428 3/20 0.37
GAA P10253 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PGK1 P00558 4/20 0.33
GSK3B P49841 1/20 0.32
MAP4K2 Q12851 1/20 0.32
MAPT P10636 3/20 0.32
ACACB O00763 2/20 0.32
BCL6 P41182 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
MAPK1 P28482 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL3720187 0.88 MAPT (0.32) MAPTLMNACYP1A2CYP2C19SMN1; SMN2
SCHEMBL3727694 0.88 MAPT (0.32) MAPTLMNACYP1A2CYP2C19SMN1; SMN2
SCHEMBL3719337 0.86 HPGD (0.38) HTTHPGDGAAATML3MBTL1
SCHEMBL3716747 0.84 MAPT (0.39) ATML3MBTL1MAPTLMNACYP1A2
SCHEMBL3720773 0.82 P2RX3 (0.41) HTTHPGDGAAATML3MBTL1
SCHEMBL3725385 0.80 MAPT (0.43) HTTHPGDGAAATML3MBTL1
SCHEMBL3727136 0.80 MAPT (0.34) MAPT
SCHEMBL3720104 0.80 ACACB (0.43) HTTHPGDGAAATML3MBTL1
SCHEMBL3720478 0.79 GLA (0.40) ATMACACBLMNACYP1A2SMN1; SMN2
SCHEMBL3719892 0.79 ACACB (0.32) HTTMAPTACACBLMNACYP1A2

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