SCHEMBL25239137

SCHEMBL25239137

Cn1c(C(=O)O)c(C=O)c2cccnc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.43
POLB P06746 3/20 0.43
THRB P10828 1/20 0.43
EGFR P00533 1/20 0.42
SRC P12931 1/20 0.42
ERN1 O75460 1/20 0.41
ALDH1A1 P00352 7/20 0.39
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 5/20 0.39
LMNA P02545 3/20 0.39
USP2 O75604 2/20 0.39
KDM4C Q9H3R0 3/20 0.38
KDM6B O15054 2/20 0.38
KDM5A P29375 2/20 0.38
NPC1 O15118 1/20 0.38
HSP90AA1 P07900 1/20 0.38
IDO1 P14902 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
SCHEMBL29364884 1.00 FEN1 (0.46) FEN1L3MBTL1POLBTHRBEGFR
SCHEMBL30643799 0.88 FEN1 (0.46) FEN1L3MBTL1POLBEGFRSRC
SCHEMBL30436019 0.81 ELANE (0.48) POLBALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL25217083 0.81 ELANE (0.48) POLBALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL29956951 0.77 FEN1 (0.45) FEN1L3MBTL1EGFRSRCERN1
SCHEMBL3223827 0.77 ALDH1A1 (0.61) FEN1POLBEGFRSRCERN1
SCHEMBL29954607 0.75 POLB (0.61) L3MBTL1POLBTHRBEGFRALDH1A1
SCHEMBL16381206 0.71 FEN1 (0.49) FEN1L3MBTL1EGFRSRCALDH1A1
SCHEMBL6487828 0.71 KDM4E (0.44) L3MBTL1POLBERN1ALDH1A1KMT2A
SCHEMBL11078500 0.71 FEN1 (0.52) FEN1L3MBTL1EGFRSRCALDH1A1

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
CN-116249531-A Compositions and methods for activating pyruvate kinase 密执安大学评议会 2023-06-09 CN disclosed
EP-4185293-A1 COMPOSITIONS AND METHODS FOR ACTIVATING PYRUVATE KINASE The Regents of The University of Michigan (US) 2023-05-31 EP disclosed