SCHEMBL25804489

SCHEMBL25804489

N#CCCN1CCCc2cc(N)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ KMT2A Q03164 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ SMAD3 P84022 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ATAD2 Q6PL18 2/20 0.42
▸ PDK1 Q15118 1/20 0.40

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
SCHEMBL6290831 0.83 KMT2A (0.44) MAPTL3MBTL1MAPK1NPC1RAB9A
SCHEMBL2674715 0.82 NOS3 (0.48) MAPTL3MBTL1MAPK1NPC1RAB9A
SCHEMBL21991681 0.81 MAPT (0.51) MAPTL3MBTL1MAPK1NPC1RAB9A
SCHEMBL10493943 0.80 ATAD2 (0.53) MAPTL3MBTL1MAPK1NPSR1KMT2A
SCHEMBL11369675 0.80 ALDH1A1 (0.64) MAPTL3MBTL1MAPK1NPC1RAB9A
SCHEMBL2675709 0.79 NOS3 (0.53) MAPTL3MBTL1KMT2AALDH1A1MEN1
SCHEMBL19992656 0.79 KMT2A (0.50) MAPTL3MBTL1MAPK1NPC1RAB9A
SCHEMBL2675622 0.79 NOS3 (0.53) MAPTL3MBTL1MAPK1NPC1RAB9A
SCHEMBL25804417 0.79 KMT2A (0.44) MAPTL3MBTL1MAPK1NPC1RAB9A
SCHEMBL2676172 0.79 NOS3 (0.51) MAPTL3MBTL1KMT2AALDH1A1MEN1

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-2877628-B1 DISPERSE AZO DYES, A PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF HUNTSMAN TEXTILE EFFECTS SWITZERLAND GMBH (CH) 2023-07-12 — — EP disclosed
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