SCHEMBL8463579

SCHEMBL8463579

COc1cc(C(=O)C(=O)N(C)[C@@H](Cc2ccc(Cl)cc2)C(=O)N(C)CCC(CCc2ccncc2)c2ccncc2)cc(OC)c1OC

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
F10 P00742 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
ATM Q13315 1/20 0.34
LMNA P02545 1/20 0.33
PDE4A P27815 2/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP51A1 Q16850 1/20 0.31
NPC1 O15118 1/20 0.31
BRD4 O60885 1/20 0.31
CXCR6 O00574 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL6472382 0.89 LPAR1 (0.39) MAPTL3MBTL1KMT2AMEN1LMNA
SCHEMBL1492154 0.89 LPAR1 (0.39) MAPTL3MBTL1KMT2AMEN1LMNA
SCHEMBL8780679 0.89 SLC2A1 (0.39) MAPTF10L3MBTL1KMT2AMEN1
SCHEMBL7181772 0.86 F10 (0.38) MAPTF10L3MBTL1KMT2AMEN1
SCHEMBL7176769 0.86 F10 (0.38) MAPTF10L3MBTL1KMT2AMEN1
SCHEMBL8466536 0.83 CYP1A2 (0.35) LMNAALDH1A1TP53
Timcodar SCHEMBL1492143 0.81 L3MBTL1 (0.37) F10L3MBTL1KMT2ALMNAALDH1A1
SCHEMBL6570451 0.81 L3MBTL1 (0.37) F10L3MBTL1KMT2ALMNAALDH1A1
Timcodar SCHEMBL3673444 0.81 L3MBTL1 (0.37) F10L3MBTL1KMT2ALMNAALDH1A1
SCHEMBL6570448 0.81 L3MBTL1 (0.37) F10L3MBTL1KMT2ALMNAALDH1A1

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-0946190-A1 METHODS AND COMPOSITIONS FOR STIMULATING NEURITE GROWTH USING COMPOUNDS WITH AFFINITY FOR FKBP12 IN COMBINATION WITH NEUROTROPHIC FACTORS Vertex Pharmaceuticals Incorporated (US) 1999-10-06 EP claimed
WO-1998020891-A1 METHODS AND COMPOSITIONS FOR STIMULATING NEURITE GROWTH USING COMPOUNDS WITH AFFINITY FOR FKBP12 IN COMBINATION WITH NEUROTROPHIC FACTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-05-22 WO claimed