SCHEMBL8301336

SCHEMBL8301336

COc1ccc(CNC(=O)c2cc(Br)c(OC)cc2NC(=O)C2CCC(C(=O)O)CC2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.45
LMNA P02545 4/20 0.45
HPGD P15428 2/20 0.45
GAA P10253 1/20 0.45
PDE11A Q9HCR9 1/20 0.45
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
DRD4 P21917 4/20 0.43
DRD3 P35462 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE5A O76074 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL8301333 1.00 KDM4E (0.46) KDM4ETSHRLMNAHPGDGAA
SCHEMBL8292266 0.92 PDE11A (0.43) KDM4ETSHRLMNAHPGDGAA
SCHEMBL8292270 0.92 PDE11A (0.43) KDM4ETSHRLMNAHPGDGAA
SCHEMBL8293088 0.89 NPC1 (0.46) KDM4ETSHRLMNAHPGDGAA
SCHEMBL8293091 0.89 NPC1 (0.46) KDM4ETSHRLMNAHPGDGAA
SCHEMBL8292073 0.89 NPC1 (0.47) KDM4ETSHRLMNAHPGDGAA
SCHEMBL8292075 0.89 NPC1 (0.47) KDM4ETSHRLMNAHPGDGAA
SCHEMBL8301638 0.85 PKM (0.56) KDM4ETSHRLMNAHPGDPKM
SCHEMBL8293493 0.83 PDE5A (0.53) LMNAHPGDGAAPDE11ANPC1
SCHEMBL8293491 0.83 PDE5A (0.53) LMNAHPGDGAAPDE11ANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686625-B1 ANTHRANILIC ACID DERIVATIVE EISAI CO LTD (JP) 1999-05-26 EP disclosed
EP-0686625-A1 ANTHRANILIC ACID DERIVATIVE Eisai Co., Ltd. (JP) 1995-12-13 EP disclosed