SCHEMBL28908443

SCHEMBL28908443

NC(=O)C(=O)OC#Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
APP P05067 1/20 0.41
FFAR1 O14842 4/20 0.41
GRM5 P41594 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MTOR P42345 1/20 0.38
LMNA P02545 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
SCHEMBL23880583 0.84 APP (0.44) NPC1RAB9AAPPFFAR1NPSR1
SCHEMBL25391778 0.81 NPSR1 (0.43) NPC1RAB9AAPPFFAR1NPSR1
SCHEMBL17667983 0.78 ELANE (0.42) NPC1RAB9AAPPFFAR1NPSR1
SCHEMBL8940636 0.77 NPC1 (0.57) NPC1RAB9AAPPFFAR1GRM5
SCHEMBL9364505 0.76 NPSR1 (0.46) NPC1RAB9AAPPFFAR1NPSR1
SCHEMBL2256472 0.76 LMNA (0.52) APPFFAR1NPSR1ALDH1A1MAPT
SCHEMBL1713040 0.76 LMNA (0.46) RAB9AAPPFFAR1GRM5NPSR1
SCHEMBL38695 0.76 NPC1 (0.47) NPC1RAB9AAPPFFAR1NPSR1
SCHEMBL5709263 0.73 AKR1C3 (0.51) NPC1RAB9AFFAR1NPSR1KDM4E
SCHEMBL3262337 0.73 LMNA (0.36) RAB9AAPPFFAR1NPSR1KDM4E

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
EP-4132523-A1 NOVEL N-ARYL OXAMIC ACIDS Purdue Research Foundation (US) 2023-02-15 EP disclosed
CN-115297860-A Novel N-aryl-oxalamic acids 普渡研究基金会 2022-11-04 CN disclosed