SCHEMBL24901281

SCHEMBL24901281

CNc1ccc(C#Cc2ccc(N3CCOCC3)cc2)cc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.48
TERT O14746 1/20 0.45
SLC16A3 O15427 1/20 0.44
ACLY P53396 1/20 0.43
PRKDC P78527 3/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
ALB P02768 1/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
KMO O15229 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 2/20 0.42
RAB9A P51151 2/20 0.42
ABCC1 P33527 1/20 0.41

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
SCHEMBL24901428 0.88 PRKDC (0.46) ACACBTERTSLC16A3ACLYPRKDC
SCHEMBL24901336 0.88 TERT (0.41) ACACBTERTSLC16A3ACLYPRKDC
SCHEMBL24901420 0.88 MAPT (0.43) MAPTKMT2AGAARAB9ANPC1
SCHEMBL24901360 0.87 MAPT (0.44) MAPTKDM4EALDH1A1POLB
SCHEMBL24901352 0.86 MAPK10 (0.41) ACACBTERTSLC16A3ACLYPRKDC
SCHEMBL24901299 0.86 KDM4E (0.49) ACACBPIK3CAMAPTKDM4EALDH1A1
SCHEMBL24893418 0.85 RAB9A (0.47) ACACBTERTALBMAPTALDH1A1
SCHEMBL24893373 0.85 TERT (0.46) ACACBTERTSLC16A3ACLYPRKDC
SCHEMBL24901393 0.84 ADK (0.50) PIK3CAMAPTALDH1A1KMO
SCHEMBL24893490 0.84 MMP13 (0.49)

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