SCHEMBL3714518

SCHEMBL3714518

COC(=O)c1ccnc(-c2ccc(OCc3ccc(CN4CCOCC4)cc3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.55
HDAC1 Q13547 3/20 0.53
KDM1A O60341 1/20 0.53
ADAMTS4 O75173 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 1/20 0.50
POLB P06746 1/20 0.49
HPGD P15428 2/20 0.49
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48
TSHR P16473 1/20 0.47
HIF1A Q16665 1/20 0.47
EPAS1 Q99814 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HRH3 Q9Y5N1 2/20 0.47
WNK1 Q9H4A3 1/20 0.47

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
SCHEMBL13188330 0.92 HDAC1 (0.56) HDAC1KDM1ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL3715041 0.89 HDAC1 (0.52) HDAC1KDM1ASMN1; SMN2MAPK1
SCHEMBL3711902 0.89 HDAC1 (0.67) HDAC1KDM1AADAMTS4POLBCACNA1B
SCHEMBL3714455 0.81 MRGPRX4 (0.47) MRGPRX4HDAC1KDM1ASMN1; SMN2MAPK1
SCHEMBL3712555 0.80 HDAC1 (0.62) MRGPRX4HDAC1ADAMTS4SMN1; SMN2HPGD
SCHEMBL3714667 0.80 HDAC1 (0.60) MRGPRX4HDAC1KDM1ASMN1; SMN2POLB
SCHEMBL3721428 0.80 KDM4E (0.52) MRGPRX4HDAC1KDM1AADAMTS4SMN1; SMN2
SCHEMBL3713872 0.80 CHKA (0.50) HDAC1SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL3713492 0.80 HDAC1 (0.52) MRGPRX4HDAC1KDM1AALDH1A1
SCHEMBL3710215 0.79 CHKA (0.49) HDAC1SMN1; SMN2LMNAMAPTHRH3

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