SCHEMBL24893406

SCHEMBL24893406

CCC(=O)Nc1ccc(C#Cc2ccc(N3CCOCC3)nc2)cc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADK P55263 4/20 0.46
PPARG P37231 1/20 0.46
SHMT2 P34897 1/20 0.44
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
CYP1A2 P05177 2/20 0.42
DGAT1 O75907 2/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FASN P49327 2/20 0.40
AOC3 Q16853 1/20 0.40
WNT3A P56704 1/20 0.40

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
SCHEMBL24893409 0.89 ACACB (0.50) SHMT2L3MBTL1FASN
SCHEMBL24901393 0.87 ADK (0.50) ADKPPARGPIK3CACYP1A2DGAT1
SCHEMBL24893418 0.86 RAB9A (0.47) MAPT
SCHEMBL24893400 0.80 SHMT2 (0.39) SHMT2L3MBTL1
SCHEMBL24893407 0.79 MMP13 (0.46)
SCHEMBL24893374 0.79 MEN1 (0.43) SHMT2
SCHEMBL24893398 0.79 TERT (0.46) MAPT
SCHEMBL24893376 0.77 HTT (0.55) CYP1A2MAPTCYP2C19
SCHEMBL6818554 0.76 ALB (0.63) PPARGCYP1A2MAPTCYP2C19FASN
SCHEMBL24893399 0.76 NPC1 (0.43)

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
WO-2023285371-A1 DHODH INHIBITORS AND THEIR USE AS ANTIVIRAL AGENTS UNIVERSITÄT HAMBURG (DE) 2023-01-19 WO disclosed
EP-4119138-A1 DHODH INHIBITORS AND THEIR USE AS ANTIVIRAL AGENTS Universität Hamburg (DE) 2023-01-18 EP disclosed