SCHEMBL13803814

SCHEMBL13803814

Bc1cc(C(=O)NCCc2c[nH]c(N)n2)n(C)c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ NOS3 P29474 1/20 0.34
▸ NOS1 P29475 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.33
▸ HSD17B10 Q99714 4/20 0.33
▸ POLB P06746 4/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.32
▸ TP53 P04637 2/20 0.32
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL13803749 0.83 HDAC1 (0.36) MAPTNPC1RAB9AALOX15TDP1
SCHEMBL12597863 0.81 CBLB (0.39) MAPTNPC1RAB9AALOX15TDP1
Hydrochloric Acid SCHEMBL1518082 0.80 CBLB (0.39) MAPTNPC1RAB9AALOX15TDP1
SCHEMBL13667538 0.76 HRH4 (0.36) HDAC1
Dihydrosventrin SCHEMBL12559819 0.74 CBLB (0.38) MAPTNPC1RAB9AALOX15TDP1
Dihydrosventrin SCHEMBL1518647 0.73 CBLB (0.38) MAPTNPC1RAB9AALOX15TDP1
SCHEMBL12597864 0.73 CBLB (0.38) MAPTNPC1RAB9AALOX15TDP1
Hydrochloric Acid SCHEMBL1518079 0.73 CBLB (0.37) MAPTNPC1RAB9AALOX15TDP1
SCHEMBL13667359 0.72 HDAC1 (0.34) MAPTNPC1RAB9AALOX15TDP1
Hydrochloric Acid SCHEMBL1518217 0.69 CBLB (0.39) MAPTALDH1A1POLBKDM4EHTT

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-2009070304-A1 INHIBITION OF BIOFILMS IN PLANTS WITH IMIDAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-06-04 — — WO disclosed
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