SCHEMBL3498757

SCHEMBL3498757

CC(=O)Nc1ccc(N(CCCl)CCCl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.58
ERBB2 P04626 4/20 0.58
HDAC6 Q9UBN7 2/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC2 Q92769 1/20 0.57
LMNA P02545 3/20 0.55
ALDH1A1 P00352 7/20 0.54
HIF1A Q16665 4/20 0.54
TP53 P04637 1/20 0.54
SMN1; SMN2 Q16637 6/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CYP3A4 P08684 4/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALOX15 P16050 2/20 0.50
NFKB1 P19838 2/20 0.50

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
SCHEMBL6570518 0.92 MAPT (0.53) EGFRERBB2HDAC6HDAC1HDAC2
SCHEMBL9122523 0.84 HDAC6 (0.59) EGFRERBB2HDAC6HDAC1HDAC2
SCHEMBL4910692 0.84 HDAC6 (0.59) EGFRERBB2HDAC6HDAC1HDAC2
Hydrochloric Acid SCHEMBL4909689 0.82 HDAC6 (0.57) EGFRERBB2HDAC6HDAC1HDAC2
SCHEMBL10049120 0.81 HDAC6 (0.54) EGFRERBB2HDAC6HDAC1HDAC2
SCHEMBL9116939 0.81 MAPT (0.55) EGFRERBB2LMNAALDH1A1SMN1; SMN2
SCHEMBL2113387 0.80 HDAC6 (0.68) EGFRERBB2HDAC6HDAC1HDAC2
SCHEMBL4950655 0.79 MAPT (0.68) HDAC6HDAC1HDAC2LMNAALDH1A1
SCHEMBL3498956 0.79 HDAC6 (0.62) EGFRERBB2HDAC6HDAC1HDAC2
SCHEMBL15097414 0.79 KMT2A (0.66) EGFRERBB2HDAC6HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106631874-A Arylamine nitrogen mustard derivative N,N-bis(2-chloroethyl)-N'-acetyl-1,4-phenylenediamine and preparation method thereof 长安大学 2017-05-10 CN disclosed
CN-106631874-A Arylamine nitrogen mustard derivative N,N-bis(2-chloroethyl)-N'-acetyl-1,4-phenylenediamine and preparation method thereof 长安大学 2017-05-10 CN disclosed
US-20160369237-A1 METHODS TO ACCELERATE THE ISOLATION OF NOVEL CELL STRAINS FROM PLURIPOTENT STEM CELLS AND CELLS OBTAINED THEREBY ADVANCED CELL TECH INC (US) 2016-12-22 US disclosed
US-20100184033-A1 METHODS TO ACCELERATE THE ISOLATION OF NOVEL CELL STRAINS FROM PLURIPOTENT STEM CELLS AND CELLS OBTAINED THEREBY Lineage Cell Therapeutics, Inc. 2010-07-22 US disclosed
US-20080226601-A1 Herpes Virus-Based Compositions and Methods of Use in the Prenatal and Perinatal Periods UNIVERSITY OF ROCHESTER (US) 2008-09-18 US disclosed
EP-1903873-A2 HERPES VIRUS-BASED COMPOSITIONS AND METHODS OF USE IN THE PRENATAL AND PERINATAL PERIODS THE UNIVERSITY OF ROCHESTER (US) 2008-04-02 EP disclosed
US-20080070303-A1 Using myocardial and/or muscle progenitor cells as modeling tool in tissue engineering; regenerative medicine and organ replacement ADVANCED CELL TECHNOLOGY 2008-03-20 US disclosed
WO-2006135602-A2 HERPES VIRUS-BASED COMPOSITIONS AND METHODS OF USE IN THE PRENATAL AND PERINATAL PERIODS UNIVERSITY OF ROCHESTER (US) 2006-12-21 WO disclosed