SCHEMBL29638411

SCHEMBL29638411

COc1cccc(-n2[nH]c(=O)c3c(N)nc(Cl)cc32)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.42
XDH P47989 1/20 0.42
CYP1A2 P05177 1/20 0.41
MAPT P10636 3/20 0.38
MGLL Q99685 1/20 0.38
MEN1 O00255 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
DCTPP1 Q9H773 2/20 0.38
GAA P10253 1/20 0.38
EPHB4 P54760 1/20 0.37
NPBWR1 P48145 1/20 0.37
MCHR1 Q99705 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DHFR P00374 1/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36

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
SCHEMBL29638323 0.78 TYK2 (0.41) ALKBH5XDHCYP1A2MAPTMEN1
SCHEMBL29638428 0.77 CYP1A2 (0.44) ALKBH5XDHCYP1A2MAPTMGLL
SCHEMBL16423909 0.69 KMT2A (0.49) ALKBH5CYP1A2MAPTMEN1KMT2A
SCHEMBL29638406 0.67 CYP1A2 (0.43) ALKBH5CYP1A2MAPTMGLLMEN1
SCHEMBL30596268 0.64 NPBWR1 (0.48) CYP1A2MAPTMEN1RAB9AKMT2A
SCHEMBL3262867 0.63 ALKBH5 (0.54) ALKBH5CYP1A2MAPTMGLLMEN1
SCHEMBL486408 0.63 MAPT (0.71) ALKBH5CYP1A2MAPTMGLLMEN1
SCHEMBL24557279 0.63 MEN1 (0.42) ALKBH5CYP1A2MAPTMEN1RAB9A
SCHEMBL24557271 0.63 SRC (0.46) ALKBH5CYP1A2MAPTMEN1RAB9A
SCHEMBL7656036 0.63 ALKBH5 (0.50) ALKBH5CYP1A2MAPTMGLLMEN1

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