SCHEMBL21395201

SCHEMBL21395201

O=Cc1ccc(Cc2cccc(F)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.43
MAOA P21397 1/20 0.43
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
CYP17A1 P05093 1/20 0.41
CYP3A4 P08684 1/20 0.41
SNCA P37840 2/20 0.39
DAO P14920 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
HTR2A P28223 1/20 0.37
NR3C2 P08235 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NFE2L2 Q16236 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
SCHEMBL6873030 0.78 MAOB (0.64) MAOBMAOA
SCHEMBL17521499 0.77 MAOA (0.54) MAOBMAOACYP11B1CYP11B2CYP17A1
SCHEMBL21384192 0.76 NFE2L2 (0.45) MAOBCYP11B1CYP11B2CYP17A1CYP3A4
SCHEMBL29442828 0.76 NFE2L2 (0.45) MAOBCYP11B1CYP11B2CYP17A1CYP3A4
SCHEMBL21383952 0.76 NOS1 (0.46) MAOBCYP11B1CYP11B2TAAR1
SCHEMBL21394846 0.76 TAAR1 (0.45) MAOBCYP11B1CYP11B2CYP17A1CYP3A4
SCHEMBL9938749 0.75 HCAR2 (0.57) CYP11B1CYP11B2CYP3A4SNCAHCAR2
SCHEMBL29442799 0.75 HCAR2 (0.57) CYP11B1CYP11B2CYP3A4SNCAHCAR2
SCHEMBL2555787 0.74 F2R (0.49) CYP11B1CYP11B2CYP17A1CYP3A4TAAR1
SCHEMBL7929350 0.74 TAAR1 (0.52) MAOBCYP11B1CYP11B2CYP17A1CYP3A4

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-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed