SCHEMBL4760378

SCHEMBL4760378

Cn1c(=O)ccc2c3c(-c4ccc(Cl)cc4Cl)c(-c4cc(COC5CCCCO5)n[nH]4)ccc3n(C)c21

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ P2RX3 P56373 4/20 0.32
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL1336811 0.80 P2RX3 (0.32) P2RX3
SCHEMBL4760890 0.73 HSD11B1 (0.34) HPGDKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL1338855 0.69 — —
SCHEMBL1337155 0.64 DPP4 (0.34) HPGDL3MBTL1KDM4ENPSR1P2RX3
SCHEMBL12126157 0.64 KDM4C (0.41) L3MBTL1P2RX3MEN1NPC1RAB9A
SCHEMBL2385112 0.63 P2RX3 (0.39) P2RX3
SCHEMBL1338170 0.63 ATR (0.37) P2RX3
SCHEMBL3522758 0.62 MEN1 (0.35) L3MBTL1P2RX3MEN1NPC1RAB9A
SCHEMBL1339414 0.61 GABRG2 (0.43) HPGDKDM4EALDH1A1
SCHEMBL7243739 0.60 KDM4C (0.39) L3MBTL1MEN1NPC1RAB9AKMT2A

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-1940840-A1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2008-07-09 — — EP disclosed
WO-2007045758-A1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2007-04-26 — — WO disclosed
Send feedback