SCHEMBL23708632

SCHEMBL23708632

O=[N+]([O-])c1cc(-c2ccccc2Cl)ccc1N1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.62
▸ MAPK1 P28482 4/20 0.62
▸ L3MBTL1 Q9Y468 2/20 0.62
▸ GAA P10253 4/20 0.55
▸ MAPT P10636 6/20 0.52
▸ LMNA P02545 3/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ ALDH1A3 P47895 1/20 0.52
▸ S1PR1 P21453 1/20 0.52
▸ POLB P06746 2/20 0.51
▸ CTSB P07858 1/20 0.51
▸ AR P10275 1/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ THRB P10828 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ PKM P14618 1/20 0.49

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
SCHEMBL27480430 0.78 ALDH1A1 (0.46) ALDH1A1MAPK1MAPTLMNAPOLB
SCHEMBL23486528 0.77 ALDH1A1 (1.00) ALDH1A1MAPK1L3MBTL1GAAMAPT
SCHEMBL23708525 0.76 NR1I2 (0.43) ALDH1A1MAPK1L3MBTL1MAPTLMNA
SCHEMBL3485682 0.76 MAPK1 (1.00) ALDH1A1MAPK1L3MBTL1GAAMAPT
SCHEMBL29655203 0.75 TDP1 (0.64) ALDH1A1MAPTLMNAPOLBMEN1
SCHEMBL13299014 0.74 S1PR1 (0.50) ALDH1A1MAPK1L3MBTL1GAAMAPT
SCHEMBL29890979 0.73 MAPT (0.55) ALDH1A1MAPK1L3MBTL1GAAMAPT
SCHEMBL29937743 0.73 CTSB (0.65) ALDH1A1MAPK1L3MBTL1GAAMAPT
SCHEMBL3799173 0.73 CTSB (0.65) ALDH1A1MAPK1L3MBTL1GAAMAPT
SCHEMBL23708532 0.73 HTR7 (0.49) ALDH1A1MAPK1L3MBTL1MAPTLMNA

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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