SCHEMBL5740414

SCHEMBL5740414

COC(=O)c1cccn2c(C(=O)c3ccc(N)c(OC)c3)c(C)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MAPT P10636 5/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ CFTR P13569 1/20 0.37
▸ TUBB4A P04350 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ TUBA3C P0DPH7 1/20 0.37
▸ TUBA1B P68363 1/20 0.37
▸ TUBA4A P68366 1/20 0.37
▸ TUBB4B P68371 1/20 0.37

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
SCHEMBL3952711 0.80 ALDH1A1 (0.36) ALDH1A1L3MBTL1KDM4ELMNAHTT
SCHEMBL6218407 0.79 MAPT (0.60) ALDH1A1L3MBTL1KDM4ELMNAHTT
SCHEMBL5741385 0.77 ALDH1A1 (0.41) ALDH1A1L3MBTL1KDM4ELMNAHTT
SCHEMBL1572805 0.76 MAPT (0.47) ALDH1A1L3MBTL1LMNAHTTMAPT
SCHEMBL2313100 0.75 MAPT (0.45) ALDH1A1KDM4ELMNAMAPTHSD17B10
SCHEMBL2519397 0.75 NPC1 (0.46) ALDH1A1L3MBTL1KDM4ELMNAHTT
SCHEMBL321447 0.75 MAPT (0.58) ALDH1A1L3MBTL1KDM4ELMNAHTT
SCHEMBL2515131 0.73 ALDH1A1 (0.45) ALDH1A1KDM4ELMNAHTTMAPT
SCHEMBL6653355 0.72 MAPK14 (0.54) ALDH1A1L3MBTL1LMNAHTTTUBB4A
SCHEMBL321257 0.72 MAPT (0.43) ALDH1A1KDM4ELMNAHTTMAPT

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-1664047-A1 SUBSTITUTED INDOLIZINE 1,2,3,6,7,8 DERIVATIVES, FGFS INHIBITORS, A METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES Sanofi-Aventis (FR) 2006-06-07 — — EP disclosed
WO-2005028476-A1 SUBSTITUTED INDOLIZINE 1,2,3,6,7,8 DERIVATIVES, FGFS INHIBITORS, A METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI-AVENTIS (FR) 2005-03-31 — — WO disclosed
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