SCHEMBL28936768

SCHEMBL28936768

[CH2]C(NC(=O)OC(C)(C)C)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
ATM Q13315 2/20 0.41
CTSS P25774 3/20 0.40
CTSK P43235 2/20 0.40
LMNA P02545 3/20 0.40
TSHR P16473 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
PKM P14618 2/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALOX15 P16050 1/20 0.40
XBP1 P17861 1/20 0.40
METAP1 P53582 1/20 0.39
CYP2C19 P33261 1/20 0.39
MMP13 P45452 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
SCHEMBL14841095 0.84 ATM (0.45) MAPTATMCTSKTSHRKMT2A
SCHEMBL14841096 0.84 ATM (0.45) MAPTATMCTSKTSHRKMT2A
SCHEMBL14923671 0.82 NPSR1 (0.43) MAPTATMCTSSCTSKLMNA
SCHEMBL22805486 0.82 NPSR1 (0.43) MAPTATMCTSSCTSKLMNA
SCHEMBL29715846 0.82 TRPA1 (0.41) MAPTATMCTSSCTSKLMNA
SCHEMBL23201009 0.81 CTSS (0.44) MAPTATMCTSSCTSKLMNA
SCHEMBL14931114 0.81 ALDH1A1 (0.42) MAPTATMCTSSCTSKLMNA
SCHEMBL22805513 0.81 ALDH1A1 (0.42) MAPTATMCTSSCTSKLMNA
SCHEMBL3601234 0.81 TRPA1 (0.43) MAPTATMCTSSCTSKMETAP1
SCHEMBL14923577 0.81 ALDH1A1 (0.42) MAPTATMCTSSCTSKLMNA

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-114286711-A Bicyclic heterocyclic compounds as inhibitors of BCDIN3D activity 风暴治疗有限公司 2022-04-05 CN disclosed