SCHEMBL24893409

SCHEMBL24893409

CCC(=O)Nc1ccc(C#Cc2cnc(N3CCOCC3)nc2)cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.50
POLB P06746 1/20 0.44
ALB P02768 1/20 0.40
FASN P49327 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
JAK3 P52333 1/20 0.39
PTPN11 Q06124 1/20 0.39
SHMT2 P34897 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
DHODH Q02127 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
SCHEMBL24893406 0.89 ADK (0.46) FASNL3MBTL1SHMT2
SCHEMBL24893418 0.87 RAB9A (0.47) ACACBPOLBALBJAK3ALDH1A1
SCHEMBL24893407 0.82 MMP13 (0.46) HTT
SCHEMBL24893400 0.81 SHMT2 (0.39) ALBL3MBTL1SHMT2ALDH1A1
SCHEMBL24893374 0.79 MEN1 (0.43) ACACBPOLBALBJAK3SHMT2
SCHEMBL24893398 0.79 TERT (0.46) ACACBPOLBALBJAK3ALDH1A1
SCHEMBL24893376 0.77 HTT (0.55) POLBALDH1A1HTT
SCHEMBL24893399 0.76 NPC1 (0.43) JAK3ALDH1A1HTT
SCHEMBL24893377 0.76 HTT (0.42) JAK3ALDH1A1HTTPRKAA1
SCHEMBL24901393 0.76 ADK (0.50) FASNALDH1A1

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