SCHEMBL28523916

SCHEMBL28523916

Nc1n[nH]c2ccc(C(=O)O)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
JAK2 O60674 4/20 0.38
JAK1 P23458 2/20 0.38
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
MGAM O43451 1/20 0.37
PDPK1 O15530 2/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
BTK Q06187 1/20 0.36
DAO P14920 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
KDM5A P29375 1/20 0.34
JMJD1C Q15652 1/20 0.34
KDM3A Q9Y4C1 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
SCHEMBL28522081 0.81 MAPK1 (0.41) KDM4EKMT2ATSHRJAK2MAPT
SCHEMBL17514132 0.79 KDM4E (0.45) KDM4EKMT2ATDP1ALOX15TSHR
SCHEMBL3640606 0.74 PDPK1 (0.43) KDM4EJAK2PDPK1CYP3A4GAA
SCHEMBL29498562 0.71 JAK2 (0.47) KDM4EKMT2AJAK2JAK1MAPT
SCHEMBL19994996 0.71 JAK2 (0.47) KDM4EKMT2AJAK2JAK1MAPT
SCHEMBL4153491 0.69 CA12 (0.49) KDM4EKMT2AACMSDMGAM
Urea SCHEMBL28025849 0.69 ITK (0.44) KDM4EPDPK1CYP3A4GAADYRK1A
SCHEMBL7260405 0.69 JAK2 (0.51) KDM4EKMT2AJAK2RAB9APDPK1
SCHEMBL1088781 0.68 KDM4E (0.67) KDM4EKMT2ATDP1ALOX15TSHR
SCHEMBL23272271 0.68 PDPK1 (0.35) KDM4EJAK2PDPK1CYP3A4GAA

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
CN-108003161-B Neurotrophic factor tyrosine kinase receptor inhibitors 正大天晴药业集团股份有限公司 2020-10-09 CN disclosed