SCHEMBL16382669

SCHEMBL16382669

Cn1cc(Br)cc1C(=O)NCCc1c[nH]cn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 5/20 0.38
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ HRH3 Q9Y5N1 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HRAS P01112 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ TOP1 P11387 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ APOBEC3A P31941 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
Hydrochloric Acid SCHEMBL1518204 0.99 CBLB (0.37) CBLBRAB9ANPC1PKMHRH3
SCHEMBL12597895 0.81 MAPT (0.36) CBLBRAB9ANPC1HRH3ALDH1A1
Hydrochloric Acid SCHEMBL1518142 0.80 MAPT (0.35) CBLBRAB9ANPC1HRH3ALDH1A1
Hydrochloric Acid SCHEMBL1518380 0.77 NPC1 (0.59) RAB9ANPC1HRH3KMT2ASMN1; SMN2
SCHEMBL15598660 0.76 PKM (0.48) PKMHRH3ALDH1A1L3MBTL1MEN1
SCHEMBL1299965 0.76 KMT2A (0.47) RAB9ANPC1ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL1518485 0.75 PKM (0.47) PKMHRH3ALDH1A1L3MBTL1MEN1
Hydrochloric Acid SCHEMBL1518217 0.74 CBLB (0.39) CBLBPKMALDH1A1HRASESR1
SCHEMBL21820359 0.73 RAB9A (0.46) RAB9ANPC1ALDH1A1L3MBTL1MEN1
SCHEMBL1277413 0.72 L3MBTL1 (0.39) RAB9APKML3MBTL1POLB

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
US-8927029-B2 Inhibition of biofilms in plants with imidazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2015-01-06 — — US disclosed
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