SCHEMBL3712465

SCHEMBL3712465

COC(=O)c1cc(Cl)nc(N(C)Cc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
CDC7 O00311 1/20 0.47
ROCK2 O75116 1/20 0.47
PIM1 P11309 1/20 0.47
PRKACA P17612 1/20 0.47
CDK2 P24941 1/20 0.47
GSK3B P49841 1/20 0.47
HIPK2 Q9H2X6 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.47
HPGD P15428 2/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 2/20 0.46
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.43
ERAP1 Q9NZ08 1/20 0.42

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
SCHEMBL1579300 0.79 ALDH1A1 (0.43) ALDH1A1KDM4ELMNA
SCHEMBL3857572 0.79 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1KDM4EHPGDKMT2A
SCHEMBL3720398 0.78 ALDH1A1 (0.42) ALDH1A1KDM4ECDC7ROCK2PIM1
SCHEMBL3715004 0.78 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1KDM4EHPGDKMT2A
SCHEMBL3350040 0.77 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL3711270 0.75 PIK3CA (0.61) ALDH1A1KDM4EGSK3BHPGDCRHBP
SCHEMBL30931811 0.74 LMNA (0.59) SMN1; SMN2ALDH1A1KDM4EHPGDKMT2A
SCHEMBL730969 0.74 LMNA (0.59) SMN1; SMN2ALDH1A1KDM4EHPGDKMT2A
SCHEMBL20225508 0.74 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1KDM4EHPGDKMT2A
SCHEMBL1424831 0.74 KDM4E (0.47) SMN1; SMN2ALDH1A1KDM4EKMT2AMAPT

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