SCHEMBL23570177

SCHEMBL23570177

O=Cc1c(Oc2ccc(Cl)cc2F)cccc1Oc1ccc(Cl)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.50
▸ SLC6A4 P31645 2/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ SLC6A3 Q01959 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ PTGER3 P43115 2/20 0.41
▸ PTGFR P43088 1/20 0.41
▸ PPARG P37231 4/20 0.41
▸ PPARA Q07869 4/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ TTR P02766 1/20 0.40
▸ PLA2G1B P04054 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ATG4B Q9Y4P1 1/20 0.40
▸ SLC22A12 Q96S37 1/20 0.39
▸ EPAS1 Q99814 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL23570176 0.94 SLC6A2 (0.48) SLC6A2SLC6A4KCNH2SLC6A3ALDH1A1
SCHEMBL23570178 0.78 SLC6A2 (0.45) SLC6A2SLC6A4KCNH2SLC6A3ALDH1A1
SCHEMBL5842315 0.77 SLC6A2 (0.50) SLC6A2SLC6A4KCNH2SLC6A3PTGER3
SCHEMBL22809757 0.76 ALDH1A1 (0.44) SLC6A2SLC6A4KCNH2SLC6A3ALDH1A1
SCHEMBL5991434 0.75 SCN8A (0.45) SLC6A2SLC6A4KCNH2SLC6A3ALDH1A1
SCHEMBL6142365 0.74 POLB (0.48) SLC6A2SLC6A4KCNH2SLC6A3ALDH1A1
SCHEMBL1137899 0.74 PTGER3 (0.60) ALDH1A1HTTPTGER3PTGFR
SCHEMBL4509584 0.73 TDP1 (0.44) SLC6A2SLC6A4KCNH2SLC6A3ALDH1A1
SCHEMBL22809753 0.72 SCN8A (0.47) SLC6A2SLC6A4KCNH2SLC6A3MRGPRX4
SCHEMBL30276641 0.71 SLC6A2 (0.41) SLC6A2SLC6A4KCNH2SLC6A3ALDH1A1

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-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 — — WO disclosed
Send feedback