SCHEMBL23095650

SCHEMBL23095650

Oc1cccc(O)c1CNc1ccc(Br)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 1/20 0.55
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
MAPT P10636 5/20 0.50
MAPK1 P28482 1/20 0.50
KDM4C Q9H3R0 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
GAA P10253 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CA2 P00918 3/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA9 Q16790 2/20 0.42
ACHE P22303 1/20 0.42
ALDH1A1 P00352 3/20 0.41
ALOX12 P18054 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HIF1A Q16665 2/20 0.41
CYP1A2 P05177 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
SCHEMBL5274977 0.88 AGER (0.47) AGERMEN1KMT2AMAPTMAPK1
SCHEMBL11510612 0.84 EGFR (0.53) AGERMEN1KMT2AMAPTMAPK1
SCHEMBL7112667 0.82 HIF1A (0.50) KMT2AMAPTL3MBTL1CA2CA12
SCHEMBL2993410 0.81 MAOA (0.46) MEN1KMT2AMAPTRAB9AL3MBTL1
SCHEMBL1239791 0.78 MAPT (0.56) AGERMEN1KMT2AMAPTMAPK1
SCHEMBL16320719 0.77 RXFP1 (0.48) AGERMEN1KMT2AMAPTMAPK1
SCHEMBL11511854 0.73 MAPT (0.47) MEN1KMT2AMAPTCA2CA12
SCHEMBL5272368 0.73 BCHE (0.47) AGERMEN1KMT2AMAPTMAPK1
SCHEMBL5272425 0.73 MAOA (0.42) MEN1KMT2AMAPTRAB9AL3MBTL1
SCHEMBL5268852 0.72 HDAC4 (0.44) MEN1KMT2AMAPTGAACA2

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-3302492-B1 HALOGENATED SALICYLANILIDES FOR TREATING CLOSTRIDIUM INFECTIONS UNION THERAPEUTICS AS (DK) 2021-03-17 EP disclosed