SCHEMBL6571615

SCHEMBL6571615

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.35
KMT2A Q03164 6/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
ATM Q13315 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
THRB P10828 1/20 0.33
TUBB1 Q9H4B7 1/20 0.33
SLC2A1 P11166 2/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL6571583 0.92 KMT2A (0.40) KMT2AMEN1KDM4ESMN1; SMN2LMNA
Timcodar SCHEMBL1492143 0.89 L3MBTL1 (0.37) F10KMT2ASMN1; SMN2LMNAL3MBTL1
SCHEMBL6570451 0.89 L3MBTL1 (0.37) F10KMT2ASMN1; SMN2LMNAL3MBTL1
Timcodar SCHEMBL3673444 0.89 L3MBTL1 (0.37) F10KMT2ASMN1; SMN2LMNAL3MBTL1
SCHEMBL6570448 0.89 L3MBTL1 (0.37) F10KMT2ASMN1; SMN2LMNAL3MBTL1
SCHEMBL6572477 0.89 SLC2A1 (0.39) F10KMT2AMEN1MAPTATM
SCHEMBL6570405 0.89 SLC2A1 (0.39) F10KMT2AMEN1MAPTATM
Timcodar SCHEMBL30929684 0.86 ALDH1A1 (0.36) KMT2AMAPTKDM4ESMN1; SMN2LMNA
SCHEMBL6573929 0.84 L3MBTL1 (0.40) KMT2AMEN1KDM4ESMN1; SMN2LMNA
SCHEMBL6573934 0.84 L3MBTL1 (0.40) KMT2AMEN1KDM4ESMN1; SMN2LMNA

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
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
US-6284778-B1 NEUROTROPHIC AGENT VERTEX PHARMACEUTICALS INCORPORATED 2001-09-04 US disclosed
US-6172086-B1 TREATING PARKINSON*S DISEASE, ALZHIEMER*S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS, MULTIPLE SCLEROSIS AND OTHER NERVOUS SYSTEM DISORDERS VERTEX PHARMACEUTICALS INCORPORATED 2001-01-09 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