SCHEMBL4801436

SCHEMBL4801436

Nc1cc(C(=O)c2ccccc2C(=O)NCCNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
GAA P10253 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 2/20 0.46
RORC P51449 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 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
SCHEMBL4805173 0.96 HDAC1 (0.53) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4801474 0.95 HDAC1 (0.55) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4808274 0.84 HTT (0.55) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4812192 0.82 LMNA (0.51) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL4807419 0.79 HDAC1 (0.49) KMT2AALDH1A1SMN1; SMN2HDAC3HDAC1
SCHEMBL4807423 0.79 HDAC1 (0.51) KMT2AALDH1A1SMN1; SMN2HDAC3HDAC1
SCHEMBL13754013 0.78 KDM4E (0.51) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4812181 0.77 ALDH1A1 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL10630917 0.74 LMNA (0.75) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL11621538 0.74 MAPT (0.81) MAPTMEN1KMT2AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7427260-B2 Efficient methods for solid phase synthesis using trityl chloride resins MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2008-09-23 US disclosed
US-20040096904-A1 Efficient methods for solid phase synthesis using trityl chloride resins MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2004-05-20 US disclosed
WO-2002079278-A1 EFFICIENT METHODS FOR SOLID PHASE SYNTHESIS USING TRITYL CHLORIDE RESINS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2002-10-10 WO disclosed