SCHEMBL6570451

SCHEMBL6570451

COc1cc(C(=O)C(=O)N(C)C(Cc2ccccc2)C(=O)N(Cc2ccc(Cl)cc2)C(CCc2ccncc2)CCc2ccncc2)cc(OC)c1OC

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 3/20 0.37
LPAR1 Q92633 3/20 0.36
FKBP1A P62942 3/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
THRB P10828 1/20 0.35
SLC2A1 P11166 2/20 0.34
F10 P00742 1/20 0.34

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
Timcodar SCHEMBL3673444 1.00 L3MBTL1 (0.37) L3MBTL1MAPK1ALDH1A1KMT2ALPAR1
SCHEMBL6570448 1.00 L3MBTL1 (0.37) L3MBTL1MAPK1ALDH1A1KMT2ALPAR1
Timcodar SCHEMBL1492143 1.00 L3MBTL1 (0.37) L3MBTL1MAPK1ALDH1A1KMT2ALPAR1
Timcodar SCHEMBL30929684 0.96 ALDH1A1 (0.36) L3MBTL1MAPK1ALDH1A1KMT2ALPAR1
SCHEMBL6573929 0.95 L3MBTL1 (0.40) L3MBTL1MAPK1ALDH1A1KMT2ALPAR1
SCHEMBL6573934 0.95 L3MBTL1 (0.40) L3MBTL1MAPK1ALDH1A1KMT2ALPAR1
SCHEMBL6572477 0.93 SLC2A1 (0.39) L3MBTL1KMT2ALMNASMN1; SMN2SLC2A1
SCHEMBL6570405 0.93 SLC2A1 (0.39) L3MBTL1KMT2ALMNASMN1; SMN2SLC2A1
SCHEMBL6572534 0.92 SLC2A4 (0.39) L3MBTL1MAPK1ALDH1A1KMT2ALPAR1
SCHEMBL6570385 0.92 SLC2A4 (0.39) L3MBTL1MAPK1ALDH1A1KMT2ALPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0797567-B1 NOVEL AMINO ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY VERTEX PHARMA (US) 2004-02-11 EP claimed
US-5840736-A PEPTIDES FOR NERVE GROWTH VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-11-24 US claimed
EP-1420009-A2 Novel amino acid derivatives with improved multi-drug resistance activity Vertex Pharmaceuticals Incorporated (US) 2004-05-19 EP disclosed
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-5543423-A USED IN MULTI-DRUG RESISTANCE CANCER THERAPY VERTEX PHARMACEUTICALS, INCORPORATED (US) 1996-08-06 US disclosed