SCHEMBL3713277

SCHEMBL3713277

O=C(O)c1nc(-c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)c2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACP1 P24666 1/20 0.44
▸ MOK Q9UQ07 3/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MMP2 P08253 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ GPR84 Q9NQS5 2/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL13188618 0.91 MMP2 (0.47) ALDH1A1MMP2MMP8MMP13
SCHEMBL3721263 0.81 TACR2 (0.42) ACP1MOKALDH1A1MMP2MMP8
SCHEMBL3713979 0.76 GRM2 (0.51) ACP1MOKALDH1A1
SCHEMBL255145 0.74 MMP13 (0.57) ALDH1A1MMP2MMP8MMP13
SCHEMBL14715273 0.72 MMP13 (0.56) ALDH1A1MMP2MMP8MMP13HRH3
SCHEMBL3709419 0.71 PARP1 (0.45) MMP2MMP8MMP13HRH3
SCHEMBL26096917 0.71 ALDH1A1 (0.62) ALDH1A1MMP2MMP8MMP13
SCHEMBL10749116 0.71 SCN9A (0.57) —
SCHEMBL3721164 0.71 PARP1 (0.47) MOKMMP2MMP8MMP13HRH3
SCHEMBL3712338 0.71 MMP2 (0.51) MMP2MMP8MMP13

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
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