SCHEMBL4889705

SCHEMBL4889705

COc1cc(NC(=O)[C@@H]2CCCN2C(=O)CN)cc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
NPSR1 Q6W5P4 2/20 0.49
MAPK1 P28482 2/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL7610256 0.85 ALDH1A1 (0.42) ALDH1A1MAPK1KMT2AMEN1CYP2C19
Hydrochloric Acid SCHEMBL3847558 0.84 ALDH1A1 (0.42) ALDH1A1MAPK1KMT2AMEN1CYP2C19
SCHEMBL9489213 0.83 ALDH1A1 (0.48) ALDH1A1NPSR1MAPK1KMT2AMEN1
SCHEMBL9489209 0.83 ALDH1A1 (0.48) ALDH1A1NPSR1MAPK1KMT2AMEN1
SCHEMBL31437669 0.81 NTMT1 (0.50) ALDH1A1
Glycyl Proline SCHEMBL10589539 0.81 CYP1A2 (0.43) ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL10589601 0.81 HTT (0.52) ALDH1A1NPSR1MAPK1CYP2C9CYP2C19
SCHEMBL380892 0.81 HTT (0.52) ALDH1A1NPSR1MAPK1CYP2C9CYP2C19
SCHEMBL9489177 0.79 ALDH1A1 (0.47) ALDH1A1NPSR1MAPK1KMT2AMEN1
SCHEMBL9489174 0.79 ALDH1A1 (0.47) ALDH1A1NPSR1MAPK1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170035938-A1 PREPARATIVE REGIMEN FOR ENGRAFTMENT, GROWTH AND DIFFERENTIATION OF NON-HEMATOPOEITIC CELLS IN VIVO AFTER TRANSPLANTATION VARIAN MED SYS INC (US) 2017-02-09 US disclosed
US-9314486-B2 Preparative regimen for engraftment, growth and differentiation of non-hematopoeitic cells in vivo after transplantation VARIAN MEDICAL SYSTEMS, INC. (US) 2016-04-19 US disclosed
US-20130149280-A1 PREPARATIVE REGIMEN FOR ENGRAFTMENT, GROWTH AND DIFFERENTIATION OF NON-HEMATOPOEITIC CELLS IN VIVO AFTER TRANSPLANTATION MONTEFIORE MEDICAL CENTER (US) 2013-06-13 US disclosed
US-20080233088-A1 PREPARATIVE REGIMEN FOR ENGRAFTMENT, GROWTH AND DIFFERENTIATION OF NON-HEMATOPOEITIC CELLS IN VIVO AFTER TRANSPLANTATION VARIAN MEDICAL SYSTEMS TECHNOLOGIES, INC. (US) 2008-09-25 US disclosed
WO-2008101215-A1 PREPARATIVE REGIMEN FOR ENGRAFTMENT, GROWTH AND DIFFERENTIATION OF NON-HEMATOPOEITIC CELLS IN VIVO VARIAN MEDICAL SYSTEMS TECHNOLOGIES, INC. (US) 2008-08-21 WO disclosed
EP-0967285-B1 expression vector for prolylendopeptidase from Flavobacterium meningosepticum NOVARTIS AG (CH) 2007-09-12 EP disclosed
EP-0967285-A1 Prolylendopeptidase from Flavobacterium meningosepticum Ciba-Geigy Japan Limited (JP) 1999-12-29 EP disclosed
US-5521081-A DNA molecule encoding prokaryotic prolylendopeptidase CIBA-GEIGY (JAPAN) LIMITED (JP) 1996-05-28 US disclosed
EP-0524906-A1 DNA coding for prolylendopeptidase CIBA-GEIGY (JAPAN) LIMITED (JP) 1993-01-27 EP disclosed
US-4994376-A Using N-carbobenzoxy-glycyl-glycyl-arginine-B-naphthylamide THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NY (US) 1991-02-19 US disclosed
EP-0292708-A2 Detection of Bacteroides gingivalis THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1988-11-30 EP disclosed
EP-0122023-A1 Microorganisms detection methods and the separation of agglutinated microorganisms, and a kit for use therein E-Y LABORATORIES, INC. (US) 1984-10-17 EP disclosed