SCHEMBL4808274

SCHEMBL4808274

Nc1cc(C(=O)c2ccccc2C(=O)NCCCCNC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 7/20 0.55
NPSR1 Q6W5P4 7/20 0.55
MAPK1 P28482 5/20 0.55
NPC1 O15118 3/20 0.55
MITF O75030 3/20 0.55
SMN1; SMN2 Q16637 6/20 0.54
MAPT P10636 8/20 0.54
LMNA P02545 3/20 0.54
VCAM1 P19320 2/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 3/20 0.49
HSP90AA1 P07900 1/20 0.49
HPGD P15428 1/20 0.49
MC4R P32245 1/20 0.48
MDM2 Q00987 1/20 0.48
AGTR1 P30556 1/20 0.47
PKM P14618 1/20 0.46
POLB P06746 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 0.89 HDAC1 (0.53) NPC1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL4801474 0.88 HDAC1 (0.55) NPC1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL4807423 0.85 HDAC1 (0.51) HTTSMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL7509832 0.84 HTT (0.56) HTTNPSR1MAPK1NPC1MITF
SCHEMBL4801436 0.84 MAPT (0.50) HTTNPC1SMN1; SMN2MAPTLMNA
SCHEMBL4807419 0.82 HDAC1 (0.49) HTTSMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL4812192 0.81 LMNA (0.51) HTTNPC1SMN1; SMN2LMNAMEN1
SCHEMBL13754013 0.77 KDM4E (0.51) HTTNPSR1MAPK1NPC1MITF
SCHEMBL4812181 0.76 ALDH1A1 (0.49) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL1285789 0.76 VCAM1 (0.74) HTTNPSR1MAPK1NPC1MITF

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