SCHEMBL6103259

SCHEMBL6103259

COC(=O)c1cc(N)cc(C2CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 5/20 0.45
HPGD P15428 3/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 2/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 2/20 0.37
GAA P10253 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SRC P12931 1/20 0.37
CNR2 P34972 1/20 0.36
CDK8 P49336 1/20 0.36
CDK19 Q9BWU1 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL29866777 0.83 KDM4E (0.46) HPGDCYP1A2POLBCYP2D6CYP2C9
SCHEMBL21200017 0.83 KDM4E (0.46) HPGDCYP1A2POLBCYP2D6CYP2C9
SCHEMBL21199946 0.83 HPGD (0.39) NQO2HPGDCYP1A2POLBCYP2D6
SCHEMBL21200395 0.83 POLB (0.42) HPGDCYP1A2POLBCYP2D6CYP2C9
SCHEMBL21199816 0.81 SLC6A3 (0.41) NQO2HPGDCYP1A2POLBCYP2D6
SCHEMBL31705111 0.81 SLC6A3 (0.41) NQO2HPGDCYP1A2POLBCYP2D6
SCHEMBL2013927 0.81 NQO2 (0.55) NQO2HPGDCYP1A2CYP2C9KDM4E
SCHEMBL18544575 0.80 POLB (0.44) HPGDPOLBKDM4EALDH1A1MAPT
SCHEMBL22540920 0.80 LMNA (0.41) NQO2POLBCYP2D6CYP2C9SRC
SCHEMBL2711058 0.80 TSHR (0.42) HPGDCYP1A2POLBCYP2D6CYP2C9

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-2006062979-A1 HERBICIDAL 6-CYCLOPROPYL-SUBSTITUTE 4-AMINOPICOLINIC ACID DERIVATIVES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-06-15 WO disclosed