SCHEMBL18023372

SCHEMBL18023372

O=CN(O)CCNC(=O)C1=CC=C(C#Cc2ccc(CN3CCOCC3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ MMP13 P45452 1/20 0.41

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
SCHEMBL3015924 0.85 KMT2A (0.57) KMT2A
SCHEMBL13267211 0.76 KMT2A (0.60) KMT2A
SCHEMBL28162775 0.75 KMT2A (0.58) KMT2A
SCHEMBL28162774 0.71 KMT2A (0.56) KMT2A
SCHEMBL13984656 0.70 ACHE (0.47) —
SCHEMBL3012858 0.70 — —
SCHEMBL3017442 0.69 KMT2A (0.65) KMT2AMMP2MMP8MMP13
SCHEMBL26096917 0.67 ALDH1A1 (0.62) MMP2MMP8MMP13
SCHEMBL19534355 0.66 HRH3 (0.54) MMP2MMP8MMP13
SCHEMBL3018975 0.66 ALDH1A1 (0.54) KMT2AMMP2MMP8MMP13

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 — — EP disclosed
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