SCHEMBL14114459

SCHEMBL14114459

Bc1cc(C(=O)NCCCc2c[nH]c(N)n2)[nH]c1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA6 P17658 2/20 0.36
▸ KCNA3 P22001 2/20 0.36
▸ KCNA4 P22459 2/20 0.36
▸ KCNA5 P22460 2/20 0.36
▸ KCNA2 P16389 1/20 0.36
▸ NT5E P21589 1/20 0.36
▸ MAP2K1 Q02750 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ GPR84 Q9NQS5 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ HDAC1 Q13547 4/20 0.34
▸ HDAC2 Q92769 4/20 0.34
▸ HDAC3 O15379 3/20 0.34
▸ HDAC4 P56524 3/20 0.34
▸ HDAC7 Q8WUI4 3/20 0.34
▸ HDAC10 Q969S8 3/20 0.34
▸ HDAC11 Q96DB2 3/20 0.34
▸ HDAC8 Q9BY41 3/20 0.34
▸ HDAC6 Q9UBN7 3/20 0.34

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
SCHEMBL12597850 0.88 MAP2K1 (0.47) KCNA6KCNA3KCNA4KCNA5KCNA2
Hydrochloric Acid SCHEMBL1518077 0.87 MAP2K1 (0.47) KCNA6KCNA3KCNA4KCNA5KCNA2
SCHEMBL12764728 0.81 VIP (0.49) KCNA6KCNA3KCNA4KCNA5ALDH1A1
Hydrochloric Acid SCHEMBL1518416 0.80 VIP (0.48) KCNA6KCNA3KCNA4KCNA5ALDH1A1
Hydrochloric Acid SCHEMBL1518116 0.78 KCNA6 (0.46) KCNA6KCNA3KCNA4KCNA5KDM4E
Hydrochloric Acid SCHEMBL1518215 0.75 HDAC3 (0.49) NT5EKDM4EHDAC1HDAC2HDAC3
Dihydrosventrin SCHEMBL12559819 0.72 CBLB (0.38) KDM4EHSD17B10ALDH1A1HDAC1HDAC2
SCHEMBL13803749 0.72 HDAC1 (0.36) KDM4EHSD17B10ALDH1A1HDAC1HDAC2
Hydrochloric Acid SCHEMBL1518217 0.71 CBLB (0.39) KDM4EALDH1A1HDAC1HDAC2HDAC3
Dihydrosventrin SCHEMBL1518647 0.71 CBLB (0.38) KDM4EHSD17B10ALDH1A1HDAC1HDAC2

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
WO-2008094479-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2008-08-07 — — WO disclosed
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