SCHEMBL23536709

SCHEMBL23536709

CCc1cc(OCc2ccccc2)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.48
NR4A2 P43354 2/20 0.47
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
MRGPRX4 Q96LA9 2/20 0.46
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTGS2 P35354 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HIF1A Q16665 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
BCHE P06276 1/20 0.44
FFAR1 O14842 1/20 0.44

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
SCHEMBL15880914 0.85 MAOB (0.48) MAOBNR4A2MRGPRX4FFAR1FFAR4
SCHEMBL18740137 0.85 MAOB (0.48) MAOBNR4A2MRGPRX4FFAR1FFAR4
SCHEMBL5764984 0.85 NR4A2 (0.50) MAOBNR4A2MRGPRX4LMNACYP1A2
SCHEMBL17048583 0.84 PSEN1 (0.48) MAOBNR4A2PSEN1PSEN2APH1B
SCHEMBL13753986 0.84 MAOB (0.59) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL21958646 0.83 GRM5 (0.51) MAOBNR4A2PSEN1PSEN2APH1B
SCHEMBL23536844 0.82 MAOB (0.61) MAOBNR4A2FFAR1FFAR4MAPT
SCHEMBL23536653 0.82 POLB (0.48) MAOBNR4A2MRGPRX4BCHEFFAR1
SCHEMBL21026818 0.82 MAOB (0.58) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL21263202 0.82 MAOB (0.58) MAOBLMNACYP1A2PTGS1SLC6A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4076418-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2022-10-26 EP disclosed
WO-2021127429-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2021-06-24 WO disclosed