SCHEMBL31338415

SCHEMBL31338415

CCOC(=O)c1c(C=O)c2sc(Sc3ccc(C)cc3)nc2n1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
KDM4E B2RXH2 4/20 0.50
MAPT P10636 9/20 0.38
ALDH1A1 P00352 5/20 0.38
NPSR1 Q6W5P4 4/20 0.38
L3MBTL1 Q9Y468 5/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
RAB9A P51151 2/20 0.37
PKM P14618 1/20 0.36
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
HCRTR1 O43613 1/20 0.34

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
SCHEMBL20745512 0.84 LMNA (0.54) LMNAKDM4EMAPTALDH1A1NPSR1
SCHEMBL31338390 0.80 LMNA (0.50) LMNAKDM4EMAPTALDH1A1NPSR1
SCHEMBL20745289 0.79 LMNA (0.58) LMNAKDM4EMAPTALDH1A1NPSR1
SCHEMBL31338386 0.77 LMNA (0.56) LMNAKDM4EMAPTALDH1A1NPSR1
SCHEMBL20745455 0.75 KDM4E (0.52) LMNAKDM4EMAPTALDH1A1NPSR1
SCHEMBL20745593 0.72 LMNA (0.45) LMNAKDM4EMAPTALDH1A1NPSR1
SCHEMBL20745518 0.71 ALDH1A1 (0.47) LMNAKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL20745269 0.71 KDM4E (0.57) LMNAKDM4EMAPTALDH1A1NPSR1
SCHEMBL20745645 0.70 ALDH1A1 (0.44) LMNAKDM4EMAPTALDH1A1NPSR1
SCHEMBL20745714 0.69 LMNA (0.42) LMNAKDM4EMAPTALDH1A1NPSR1

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
EP-4739658-A1 SYNTHESIS OF PYRUVATE KINASE ACTIVATORS Agios Pharmaceuticals, Inc. (US) 2026-05-13 EP disclosed
WO-2025010390-A1 SYNTHESIS OF PYRUVATE KINASE ACTIVATORS AGIOS PHARMACEUTICALS, INC. (US) 2025-01-09 WO disclosed