SCHEMBL24901336

SCHEMBL24901336

CNc1ccc(C#Cc2ccc(N3CCOCC3)cc2F)cc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.41
MAPK9 P45984 3/20 0.40
MAPK10 P53779 3/20 0.40
ACLY P53396 1/20 0.40
SLC16A3 O15427 1/20 0.40
ACACB O00763 1/20 0.39
PRKDC P78527 2/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
P2RY1 P47900 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KMO O15229 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL24901281 0.88 ACACB (0.48) TERTACLYSLC16A3ACACBPRKDC
SCHEMBL24901428 0.88 PRKDC (0.46) TERTACLYSLC16A3ACACBPRKDC
SCHEMBL24893374 0.88 MEN1 (0.43) TERTMAPK9MAPK10ACLYSLC16A3
SCHEMBL24901352 0.87 MAPK10 (0.41) TERTMAPK9MAPK10ACLYSLC16A3
SCHEMBL24901420 0.77 MAPT (0.43) KMT2APOLBNPC1GAAMAPT
SCHEMBL24901360 0.76 MAPT (0.44) KDM4EALDH1A1POLBMAPT
SCHEMBL24901393 0.76 ADK (0.50) PIK3CAALDH1A1KMOMAPT
SCHEMBL24901299 0.76 KDM4E (0.49) ACACBPIK3CAKDM4EALDH1A1MAPT
SCHEMBL24893373 0.75 TERT (0.46) TERTACLYSLC16A3ACACBPRKDC
SCHEMBL24893418 0.75 RAB9A (0.47) TERTACACBMEN1KMT2AALDH1A1

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