SCHEMBL23708106

SCHEMBL23708106

CCc1cc(-c2ccccc2)ccc1N1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ TPH1 P17752 1/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ NPY2R P49146 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CHKA P35790 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 2/20 0.39

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
SCHEMBL23708171 0.84 NCF1 (0.48) ALDH1A1TPH1BACE1L3MBTL1MAPT
SCHEMBL16793323 0.83 NCF1 (0.47) ALDH1A1TPH1BACE1L3MBTL1MAPT
SCHEMBL16814938 0.83 NCF1 (0.47) ALDH1A1TPH1BACE1L3MBTL1MAPT
SCHEMBL8776692 0.79 NCF1 (0.54) ALDH1A1L3MBTL1GAAMAPTNPSR1
SCHEMBL6514775 0.77 KEAP1 (0.53) L3MBTL1GAAMAPTNPSR1KMT2A
SCHEMBL19203563 0.76 ALDH1A1 (0.46) ALDH1A1TPH1GAAMAPTLMNA
Nitrogen SCHEMBL4600854 0.75 NCF1 (0.51) ALDH1A1L3MBTL1GAAMAPTNPSR1
Methylamine SCHEMBL6478870 0.75 NCF1 (0.56) ALDH1A1L3MBTL1GAAMAPTNPSR1
Hydrochloric Acid SCHEMBL29156848 0.75 KEAP1 (0.52) L3MBTL1GAAMAPTNPSR1KMT2A
Ammonia Solution, Strong SCHEMBL7896018 0.75 KEAP1 (0.52) L3MBTL1GAAMAPTNPSR1KMT2A

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-2021154966-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN TREATING SKIN DISORDERS KAMARI PHARMA LTD. (IL) 2021-08-05 — — WO disclosed
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