SCHEMBL3710077

SCHEMBL3710077

COC(=O)c1cc(Cl)nc(N2CCN(CC3CCN(C)CC3)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
AURKA O14965 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
CASP1 P29466 1/20 0.40
CASP4 P49662 1/20 0.40
CASP5 P51878 1/20 0.40
DRD2 P14416 2/20 0.40
DRD3 P35462 1/20 0.40
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
CACNA2D1 P54289 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNB1 Q02641 1/20 0.38
CACNA1C Q13936 1/20 0.38
BRAF P15056 1/20 0.37

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
SCHEMBL3714245 0.85 KDM4E (0.51) LMNAAURKAKDM4EMEN1USP2
SCHEMBL3710050 0.82 LMNA (0.43) LMNAAURKAKDM4EMEN1USP2
SCHEMBL3716892 0.81 HTR4 (0.43) LMNAAURKAKDM4EMEN1USP2
SCHEMBL3711915 0.80 PIK3CA (0.53) LMNAAURKAALDH1A1KMT2APIK3CA
SCHEMBL3711587 0.80 DRD3 (0.41) LMNADRD2DRD3PIK3CAPIK3CB
SCHEMBL3716189 0.78 LMNA (0.46) LMNAKDM4EMEN1USP2ALDH1A1
SCHEMBL20206898 0.78 LMNA (0.46) LMNAKDM4EMEN1USP2ALDH1A1
SCHEMBL3711790 0.77 LMNA (0.50) LMNAKDM4EMEN1ALDH1A1KMT2A
SCHEMBL3716897 0.76 KDM4E (0.47) LMNAKDM4EALDH1A1PIK3CAPIK3CB
Hydrochloric Acid SCHEMBL3281624 0.76 LMNA (0.52) LMNAKDM4EMEN1USP2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed