SCHEMBL29972734

SCHEMBL29972734

Nc1ccc(Cl)nc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
LMNA P02545 2/20 0.55
ALDH1A1 P00352 2/20 0.55
GLA P06280 1/20 0.55
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
ADORA2A P29274 8/20 0.44
ADORA1 P30542 7/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
PKM P14618 1/20 0.44
XDH P47989 1/20 0.43
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
ADORA2B P29275 1/20 0.42

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
SCHEMBL17111481 1.00 KDM4E (0.55) KDM4ELMNAALDH1A1GLAHPGD
SCHEMBL9902524 0.82 IMPDH2 (0.39) KDM4ELMNAALDH1A1GLAHPGD
SCHEMBL5217367 0.77 KDM4E (0.47) KDM4ELMNAALDH1A1GLAHPGD
SCHEMBL27839029 0.77 MAP2K3 (0.55) KDM4ELMNAALDH1A1GLAHPGD
SCHEMBL31677629 0.76 PIK3CD (0.37) KDM4ELMNAALDH1A1GLAHPGD
SCHEMBL31677601 0.76 EGLN2 (0.40) ADORA2AADORA1GAA
SCHEMBL15716741 0.75 ALDH1A1 (0.45) KDM4ELMNAALDH1A1GLAHPGD
SCHEMBL16712892 0.75 ALDH1A1 (0.45) KDM4ELMNAALDH1A1GLAHPGD
SCHEMBL15716526 0.75 ADORA2A (0.49) KDM4ELMNAALDH1A1GLAHPGD
SCHEMBL18136468 0.75 LMNA (0.48) KDM4ELMNAALDH1A1GLAHPGD

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
EP-4081199-A2 LIPOXYGENASE INHIBITORS SRI International (US) 2022-11-02 EP disclosed