SCHEMBL22910539

SCHEMBL22910539

CNCc1ccccc1-c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
PKM P14618 1/20 0.51
LTA4H P09960 1/20 0.49
SLC6A4 P31645 5/20 0.47
HTR2A P28223 3/20 0.47
SLC6A3 Q01959 2/20 0.45
SLC6A2 P23975 2/20 0.45
MCL1 Q07820 1/20 0.45
LIPG Q9Y5X9 1/20 0.43
PTGS2 P35354 2/20 0.43
KCNH2 Q12809 2/20 0.41
KCNA5 P22460 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
TACR1 P25103 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38

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
SCHEMBL417693 0.84 LTA4H (0.55) LTA4HSLC6A4SLC6A3SLC6A2FFAR1
SCHEMBL22910532 0.84 LTA4H (0.47) ALDH1A1PKMLTA4HSLC6A4HTR2A
SCHEMBL8281063 0.83 LTA4H (0.50) LTA4HSLC6A4HTR2ASLC6A3SLC6A2
SCHEMBL22910528 0.81 SLC6A4 (0.47) ALDH1A1PKMLTA4HSLC6A4HTR2A
SCHEMBL22910540 0.81 LTA4H (0.45) ALDH1A1PKMLTA4HSLC6A4HTR2A
SCHEMBL23330219 0.81 BCHE (0.41) ALDH1A1SLC6A4SLC6A3LIPGPTGS2
SCHEMBL4417329 0.81 SLC6A4 (0.57) LTA4HSLC6A4HTR2ASLC6A3SLC6A2
SCHEMBL23229977 0.79 DPP4 (0.48) ALDH1A1PKMLTA4HSLC6A4SLC6A3
SCHEMBL29655939 0.79 PTGS2 (0.52) ALDH1A1SLC6A4SLC6A3PTGS2KCNH2
SCHEMBL12806496 0.79 PTGS2 (0.52) ALDH1A1SLC6A4SLC6A3PTGS2KCNH2

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
WO-2021072203-A1 TGFBETAR1 INHIBITOR-ASGR ANTIBODY CONJUGATES AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2021-04-15 WO disclosed
WO-2021011834-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2021-01-21 WO disclosed