SCHEMBL5232344

SCHEMBL5232344

C[C@H]1CC[C@H](C(=O)N(c2nn(-c3ccc(/C=C\c4ccccc4)cc3)cc2OC(=O)O)C2CCOCC2)CC1

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.31
LMNA P02545 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 2/20 0.31
NPC1 O15118 2/20 0.31
MAPT P10636 2/20 0.31
RAB9A P51151 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAOB P27338 1/20 0.31
HTT P42858 1/20 0.30
PKM P14618 1/20 0.30
OPRL1 P41146 1/20 0.30

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
SCHEMBL5235842 1.00 KDM4E (0.31) KDM4ELMNAALDH1A1MEN1NPC1
SCHEMBL5235781 0.92 ALDH1A1 (0.34) KDM4ELMNAALDH1A1MEN1NPC1
SCHEMBL5233606 0.88
SCHEMBL5232766 0.88
SCHEMBL5234194 0.88 OPRM1 (0.37) KDM4EALDH1A1KMT2AMAOB
SCHEMBL5232176 0.88 MEN1 (0.36) KDM4EALDH1A1MEN1NPC1MAPT
SCHEMBL5232191 0.88 MEN1 (0.36) KDM4EALDH1A1MEN1NPC1MAPT
SCHEMBL5232188 0.88 MEN1 (0.36) KDM4EALDH1A1MEN1NPC1MAPT
SCHEMBL5234148 0.88 MEN1 (0.36) KDM4EALDH1A1MEN1NPC1MAPT
SCHEMBL14459848 0.85 NPSR1 (0.38) LMNAALDH1A1MEN1NPC1MAPT

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-1730116-B1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORP (US) 2007-09-05 EP claimed