SCHEMBL6570397

SCHEMBL6570397

COc1cc(C(=O)C(=O)N(C)C(Cc2ccccc2)C(=O)N(C)C(CCc2ccncc2)CCc2ccncc2)cc(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
LMNA P02545 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FKBP1A P62942 4/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MEN1 O00255 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38

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
SCHEMBL6570389 1.00 KMT2A (0.42) KMT2ALMNAL3MBTL1TDP1HTT
SCHEMBL6573934 0.91 L3MBTL1 (0.40) KMT2ALMNAL3MBTL1TDP1HTT
SCHEMBL6573929 0.91 L3MBTL1 (0.40) KMT2ALMNAL3MBTL1TDP1HTT
SCHEMBL7176769 0.91 F10 (0.38) KMT2ALMNAL3MBTL1TDP1ALDH1A1
SCHEMBL7181772 0.91 F10 (0.38) KMT2ALMNAL3MBTL1TDP1ALDH1A1
Timcodar SCHEMBL1492143 0.87 L3MBTL1 (0.37) KMT2ALMNAL3MBTL1TDP1HTT
SCHEMBL6572534 0.87 SLC2A4 (0.39) KMT2ALMNAL3MBTL1TDP1HTT
SCHEMBL6570385 0.87 SLC2A4 (0.39) KMT2ALMNAL3MBTL1TDP1HTT
SCHEMBL6570448 0.87 L3MBTL1 (0.37) KMT2ALMNAL3MBTL1TDP1HTT
Timcodar SCHEMBL3673444 0.87 L3MBTL1 (0.37) KMT2ALMNAL3MBTL1TDP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946190-B1 METHODS AND COMPOSITIONS FOR STIMULATING NEURITE OUTGROWTH VERTEX PHARMA (US) 2003-09-24 EP claimed
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
US-5840736-A PEPTIDES FOR NERVE GROWTH VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-11-24 US 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
EP-0797567-B1 NOVEL AMINO ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY VERTEX PHARMA (US) 2004-02-11 EP disclosed
EP-0946190-B1 METHODS AND COMPOSITIONS FOR STIMULATING NEURITE OUTGROWTH VERTEX PHARMA (US) 2003-09-24 EP disclosed
US-6284778-B1 NEUROTROPHIC AGENT VERTEX PHARMACEUTICALS INCORPORATED 2001-09-04 US disclosed
US-5840736-A PEPTIDES FOR NERVE GROWTH VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-11-24 US disclosed
US-5543423-A USED IN MULTI-DRUG RESISTANCE CANCER THERAPY VERTEX PHARMACEUTICALS, INCORPORATED (US) 1996-08-06 US disclosed