SCHEMBL31464259

SCHEMBL31464259

COC(=O)c1cc2nn[nH]c2cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.39
NR4A2 P43354 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
ALPL P05186 3/20 0.38
NQO2 P16083 3/20 0.38
NPY5R Q15761 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABL1 P00519 1/20 0.36

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
SCHEMBL13516405 0.84 MAPK1 (0.40) NR4A2KDM4EMAPK1ALPLGAA
SCHEMBL23094580 0.83 NR4A2 (0.39) NR4A2KDM4EMAPK1ALPLGAA
SCHEMBL16961607 0.82 MAPK1 (0.41) NR4A2KDM4EMAPK1ALPLGAA
SCHEMBL30807491 0.82 MAPK1 (0.41) NR4A2KDM4EMAPK1ALPLGAA
SCHEMBL10564396 0.82 GAA (0.44) KDM4EMAPK1ALPLGAAMAPT
SCHEMBL22445937 0.80 MAPK1 (0.39) NR4A2KDM4EMAPK1ALPLGAA
SCHEMBL31512853 0.80 NR4A2 (0.39) NR4A2KDM4EMAPK1ALPLGAA
SCHEMBL27707178 0.79 GAA (0.44) KDM4EMAPK1ALPLGAAMAPT
SCHEMBL22446008 0.78 CFTR (0.42) KDM4EMAPK1MAPTTSHRLMNA
SCHEMBL70011 0.74 GAA (0.58) NR4A2KDM4EGAAMAPTTSHR

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-119487024-A Herbicidal compounds 先正达农作物保护股份公司 2025-02-18 CN disclosed