SCHEMBL6102471

SCHEMBL6102471

COC(=O)c1cc(N)c(Cl)c(C2CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 7/20 0.50
ABL1 P00519 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
SLC6A3 Q01959 5/20 0.36
GAA P10253 1/20 0.36
STAT1 P42224 1/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSP90B1 P14625 1/20 0.34
SLC6A4 P31645 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
SCHEMBL16856995 0.81 NQO2 (0.37) NQO2KDM4EALDH1A1MAPTPKM
SCHEMBL1314550 0.79 NQO2 (0.57) NQO2ABL1KDM4EALDH1A1MAPT
SCHEMBL29005150 0.75 SLC6A3 (0.45) NQO2ALDH1A1MAPTSLC6A3LMNA
SCHEMBL2465323 0.74 NQO2 (0.41) NQO2ABL1KDM4EALDH1A1PKM
SCHEMBL2463927 0.74 NPSR1 (0.40) NQO2KDM4EALDH1A1MAPTPKM
SCHEMBL21994323 0.74 MAPK1 (0.38)
SCHEMBL31705111 0.72 SLC6A3 (0.41) NQO2KDM4EALDH1A1MAPTSLC6A3
SCHEMBL21199816 0.72 SLC6A3 (0.41) NQO2KDM4EALDH1A1MAPTSLC6A3
SCHEMBL6103259 0.72 NQO2 (0.45) NQO2KDM4EALDH1A1MAPTPKM
SCHEMBL27271945 0.72 PDE4D (0.40) NQO2KDM4EALDH1A1MAPTPKM

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