SCHEMBL29638428

SCHEMBL29638428

COc1cccc(-n2[nH]c(=O)c3cnc(Cl)cc32)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALKBH5 Q6P6C2 1/20 0.44
GABRA1 P14867 4/20 0.43
GABRG2 P18507 4/20 0.43
GABRB3 P28472 4/20 0.43
GABRA5 P31644 4/20 0.43
GABRA3 P34903 4/20 0.43
GABRA6 Q16445 3/20 0.43
GABRA2 P47869 2/20 0.43
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
MGLL Q99685 1/20 0.40
GRM1 Q13255 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL29638496 0.79 SRC (0.46) CYP1A2MEN1MAPTKMT2AALKBH5
SCHEMBL24557271 0.79 SRC (0.46) CYP1A2MEN1MAPTKMT2AALKBH5
SCHEMBL29638478 0.79 MEN1 (0.42) CYP1A2MEN1MAPTKMT2AHPGD
SCHEMBL24557279 0.79 MEN1 (0.42) CYP1A2MEN1MAPTKMT2AHPGD
SCHEMBL29638406 0.79 CYP1A2 (0.43) CYP1A2MEN1MAPTKMT2AHPGD
SCHEMBL24557282 0.78 POLB (0.42) CYP1A2MEN1MAPTKMT2AHPGD
SCHEMBL29638400 0.78 LYN (0.42) CYP1A2MEN1MAPTKMT2AHPGD
SCHEMBL29638556 0.78 POLB (0.42) CYP1A2MEN1MAPTKMT2AHPGD
SCHEMBL29638552 0.78 MGLL (0.38) CYP1A2MEN1MAPTKMT2AHPGD
SCHEMBL29638411 0.77 ALKBH5 (0.42) CYP1A2MEN1MAPTKMT2AALKBH5

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-2022136914-A1 TYK2 INHIBITORS AND USES THEREOF SUDO BIOSCIENCES LIMITED (GB) 2022-06-30 WO disclosed