SCHEMBL29467141

SCHEMBL29467141

CC(C)(C)OC(=O)n1cc(Cc2cccc(C(F)(F)F)c2)cn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.42
EGLN1 Q9GZT9 1/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NR4A2 P43354 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
SCD O00767 3/20 0.40
GPR52 Q9Y2T5 2/20 0.40
ACP3 P15309 1/20 0.39
CCR1 P32246 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ATM Q13315 1/20 0.39
TACR1 P25103 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
SCHEMBL28716139 1.00 MAOB (0.42) MAOBEGLN1MAPTHTTL3MBTL1
SCHEMBL29467175 0.86 GPR119 (0.42) MAOBL3MBTL1SCD
SCHEMBL28707994 0.86 GPR119 (0.42) MAOBL3MBTL1SCD
SCHEMBL28714232 0.84 KDM1A (0.43) MAOBEGLN1MAPTSCD
SCHEMBL29467161 0.84 KDM1A (0.43) MAOBEGLN1MAPTSCD
SCHEMBL28719227 0.83 SCD (0.43) MAPTKMT2ASCD
SCHEMBL29467187 0.83 SCD (0.43) MAPTKMT2ASCD
SCHEMBL29467160 0.83 ATM (0.47) MAOBKMT2AMEN1GPR52ACP3
SCHEMBL20029212 0.82 SCD (0.47) SCD
SCHEMBL28707297 0.81 ALKBH1 (0.41) SCD

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
CN-114206861-A Fused heteroaryl compounds useful as RIPK1 inhibitors 比西切姆有限公司 2022-03-18 CN disclosed