SCHEMBL3720114

SCHEMBL3720114

CCNc1ccc2nc(Oc3ccc(OCC(C)C)cc3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
HRH3 Q9Y5N1 1/20 0.37
SCN7A Q01118 2/20 0.35
ELANE P08246 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
TLR8 Q9NR97 1/20 0.34
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ACACB O00763 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SCN9A Q15858 3/20 0.34
KCNH2 Q12809 1/20 0.34
GPR35 Q9HC97 1/20 0.33

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
SCHEMBL3720723 0.87 MAPT (0.44) MAPTHRH3ELANEALDH1A1HPGD
SCHEMBL3725385 0.86 MAPT (0.43) MAPTHPGDCYP2C9ACACB
SCHEMBL3719433 0.86 MAPT (0.39) MAPTSCN7AELANEHPGDTLR8
SCHEMBL3720292 0.85 MAPT (0.41) MAPTSCN7AALDH1A1TLR8CYP2C19
SCHEMBL3726852 0.85 P2RX3 (0.43) MAPTELANEALDH1A1POLBACACB
SCHEMBL3716747 0.82 MAPT (0.39) MAPTSCN7AELANEKDM4EPOLB
SCHEMBL3717824 0.81 ALDH1A1 (0.45) MAPTKDM4EALDH1A1POLBCYP2C9
SCHEMBL3720087 0.81 MAPT (0.38) MAPTSCN7AKDM4EACACBLMNA
SCHEMBL3718215 0.80 PIK3CA (0.40) MAPTSCN9A
SCHEMBL3719557 0.79 MAPT (0.42) MAPTACACBSCN9A

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