SCHEMBL17364396

SCHEMBL17364396

Nc1cc(=O)n(C2CC2)c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.49
CYP2C19 P33261 8/20 0.49
CYP2C9 P11712 7/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
PKM P14618 1/20 0.49
TSHR P16473 4/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 4/20 0.43
HTT P42858 3/20 0.42
POLB P06746 2/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP3A4 P08684 7/20 0.41
MAPK1 P28482 3/20 0.41
ALOX15 P16050 1/20 0.41
EEF2K O00418 1/20 0.40
CYP1A2 P05177 2/20 0.40
TP53 P04637 3/20 0.39
NR5A2 O00482 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
SCHEMBL1944522 0.93 ALDH1A1 (0.58) ALDH1A1CYP2C19CYP2C9SMN1; SMN2PKM
SCHEMBL1947746 0.91 ALDH1A1 (0.60) ALDH1A1CYP2C19CYP2C9SMN1; SMN2PKM
SCHEMBL1945598 0.90 ALDH1A1 (0.44) ALDH1A1CYP2C19CYP2C9SMN1; SMN2PKM
SCHEMBL1944850 0.85 PIK3CA (0.40) ALDH1A1CYP2C19CYP2C9SMN1; SMN2PKM
SCHEMBL1944363 0.82 ALDH1A1 (0.44) ALDH1A1CYP2C19CYP2C9SMN1; SMN2PKM
SCHEMBL7466097 0.73 ALDH1A1 (0.53) ALDH1A1CYP2C19CYP2C9SMN1; SMN2PKM
SCHEMBL4763143 0.70 ALDH1A1 (0.54) ALDH1A1CYP2C19CYP2C9SMN1; SMN2PKM
SCHEMBL11807328 0.70 ALDH1A1 (0.58) ALDH1A1CYP2C19CYP2C9SMN1; SMN2PKM
SCHEMBL16321748 0.70 ALDH1A1 (0.54) ALDH1A1CYP2C19CYP2C9SMN1; SMN2PKM
SCHEMBL3472019 0.69 ALDH1A1 (0.60) ALDH1A1CYP2C19CYP2C9SMN1; SMN2PKM

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025229111-A1 PYRIMIDINONE DERIVATIVES AS PESTICIDAL COMPOUNDS BASF SE (DE) 2025-11-06 WO disclosed
EP-4634188-A1 PYRIMIDINONE DERIVATIVES AS PESTICIDAL COMPOUNDS BASF SE (DE) 2025-10-22 EP disclosed
WO-2024126117-A1 PYRIMIDINONE DERIVATIVES AS PESTICIDAL COMPOUNDS BASF SE (DE) 2024-06-20 WO disclosed
US-9221821-B2 Methods for the synthesis of 1,3-substituted aminouracils and other xanthine-related compounds Forest Laboratories Holdings, Limited (BM) 2015-12-29 US disclosed
US-9221821-B2 Methods for the synthesis of 1,3-substituted aminouracils and other xanthine-related compounds Forest Laboratories Holdings, Limited (BM) 2015-12-29 US disclosed