SCHEMBL3719963

SCHEMBL3719963

CCOC(=O)c1cc(-c2ccco2)nc(Br)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.56
KDM4E B2RXH2 11/20 0.56
HPGD P15428 7/20 0.56
GAA P10253 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
POLB P06746 10/20 0.53
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
HSD17B10 Q99714 3/20 0.53
USP2 O75604 3/20 0.53
TSHR P16473 2/20 0.53
MAPT P10636 8/20 0.51
MCL1 Q07820 5/20 0.51
GLA P06280 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
UBE2I P63279 10/20 0.50
CACNA1B Q00975 10/20 0.50
APBA1 Q02410 10/20 0.50
SAE1 Q9UBE0 10/20 0.50

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
SCHEMBL3720634 0.88 KDM4E (0.49) ALDH1A1KDM4EHPGDGAAPOLB
SCHEMBL3713561 0.86 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDGAASMN1; SMN2
SCHEMBL3717261 0.78 MAPT (0.53) ALDH1A1KDM4EHPGDGAASMN1; SMN2
SCHEMBL3715096 0.77 HPGD (0.45) ALDH1A1KDM4EHPGDPOLBHSD17B10
SCHEMBL3709546 0.77 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDGAASMN1; SMN2
SCHEMBL3711258 0.77 DCTPP1 (0.47) ALDH1A1KDM4EHPGDGAASMN1; SMN2
SCHEMBL3331112 0.77 UBE2I (0.78) ALDH1A1KDM4EHPGDGAAPOLB
SCHEMBL3713427 0.76 KDM4E (0.46) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL3711261 0.75 CASP1 (0.42) ALDH1A1KDM4EHPGDSMN1; SMN2POLB
SCHEMBL3711244 0.75 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDGAASMN1; SMN2

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