SCHEMBL3710050

SCHEMBL3710050

COC(=O)c1cc(Cl)nc(N2CCN(CCO)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
SUV39H2 Q9H5I1 2/20 0.40
HTR4 Q13639 1/20 0.40
MCHR1 Q99705 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
FGFR1 P11362 1/20 0.39
SIK2 Q9H0K1 1/20 0.39
SIK3 Q9Y2K2 1/20 0.39
PKMYT1 Q99640 1/20 0.39
AURKA O14965 1/20 0.39

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
SCHEMBL3711587 0.93 DRD3 (0.41) LMNAPIK3CAPIK3CBHTR4MAPT
SCHEMBL3716892 0.89 HTR4 (0.43) LMNAALDH1A1KDM4EPIK3CAPIK3CB
SCHEMBL3711915 0.88 PIK3CA (0.53) LMNAALDH1A1PIK3CAPIK3CBKMT2A
SCHEMBL3714245 0.86 KDM4E (0.51) LMNAALDH1A1KDM4EPIK3CAPIK3CB
SCHEMBL3716189 0.83 LMNA (0.46) LMNAALDH1A1KDM4EPIK3CAPIK3CB
SCHEMBL20206898 0.83 LMNA (0.46) LMNAALDH1A1KDM4EPIK3CAPIK3CB
SCHEMBL3710077 0.82 LMNA (0.41) LMNAALDH1A1KDM4EPIK3CAPIK3CB
SCHEMBL3716897 0.82 KDM4E (0.47) LMNAALDH1A1KDM4EPIK3CAPIK3CB
SCHEMBL1579188 0.81 PIK3CA (0.44) LMNAALDH1A1KDM4EPIK3CAPIK3CB
SCHEMBL1579169 0.80 PIK3CA (0.58) ALDH1A1KDM4EPIK3CAPIK3CBMEN1

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