SCHEMBL24901428

SCHEMBL24901428

CNc1ccc(C#Cc2ccc(N3CCOCC3)cc2C(C)=O)cc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 3/20 0.46
TERT O14746 1/20 0.45
MAPT P10636 5/20 0.45
ACACB O00763 1/20 0.41
ACLY P53396 1/20 0.40
SLC16A3 O15427 1/20 0.40
ATM Q13315 1/20 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
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 1/20 0.38
KMO O15229 1/20 0.38
ALB P02768 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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) PRKDCTERTMAPTACACBACLY
SCHEMBL24901336 0.88 TERT (0.41) PRKDCTERTMAPTACACBACLY
SCHEMBL24893398 0.88 TERT (0.46) PRKDCTERTMAPTACACBACLY
SCHEMBL24901352 0.85 MAPK10 (0.41) PRKDCTERTACACBACLYSLC16A3
SCHEMBL24901420 0.77 MAPT (0.43) MAPTKMT2AGAARAB9A
SCHEMBL24901360 0.76 MAPT (0.44) MAPTALDH1A1KDM4E
SCHEMBL24901393 0.76 ADK (0.50) MAPTPIK3CAALDH1A1KMO
SCHEMBL24901299 0.76 KDM4E (0.49) MAPTACACBPIK3CAALDH1A1KDM4E
SCHEMBL24893373 0.75 TERT (0.46) PRKDCTERTMAPTACACBACLY
SCHEMBL24893418 0.75 RAB9A (0.47) TERTMAPTACACBATMMEN1

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