SCHEMBL25309481

SCHEMBL25309481

COC(=O)C(C)c1cn(C(=O)O)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
THRB P10828 1/20 0.44
MEN1 O00255 3/20 0.43
MAPT P10636 4/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR4A2 P43354 2/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
GALR2 O43603 1/20 0.38
MITF O75030 1/20 0.38
GLA P06280 1/20 0.38
HSP90AA1 P07900 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 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
SCHEMBL17102820 0.89 KMT2A (0.57) KMT2AKDM4EALDH1A1THRBMEN1
SCHEMBL28203274 0.86 LMNA (0.45) KMT2AKDM4EALDH1A1MEN1MAPT
SCHEMBL25866702 0.83 L3MBTL1 (0.53) KMT2AKDM4EALDH1A1THRBMEN1
SCHEMBL29651318 0.83 L3MBTL1 (0.53) KMT2AKDM4EALDH1A1THRBMEN1
SCHEMBL2184960 0.82 NR4A2 (0.55) KMT2AKDM4EALDH1A1MEN1MAPT
SCHEMBL13203774 0.82 NR4A2 (0.55) KMT2AKDM4EALDH1A1MEN1MAPT
SCHEMBL29433116 0.82 KDM4E (0.43) KMT2AKDM4EALDH1A1THRBMEN1
SCHEMBL27855164 0.79 KDM4E (0.41) KMT2AKDM4EALDH1A1THRBMEN1
SCHEMBL369096 0.79 KMT2A (0.52) KMT2AKDM4EALDH1A1MEN1MAPT
SCHEMBL14678552 0.74 ALDH1A1 (0.45) KMT2AKDM4EALDH1A1THRBMEN1

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
WO-2023134608-A1 FUSED RING COMPOUNDS SERVING AS HPK1 INHIBITORS 微境生物医药科技(上海)有限公司 2023-07-20 WO disclosed