SCHEMBL4801474

SCHEMBL4801474

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.55
HDAC3 O15379 5/20 0.55
HDAC4 P56524 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
TAAR1 Q96RJ0 1/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.45

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 0.99 HDAC1 (0.53) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4801436 0.95 MAPT (0.50) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4808274 0.88 HTT (0.55) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4807423 0.83 HDAC1 (0.51) HDAC1HDAC3SMN1; SMN2KMT2AALDH1A1
SCHEMBL4807419 0.81 HDAC1 (0.49) HDAC1HDAC3SMN1; SMN2KMT2AALDH1A1
SCHEMBL4812192 0.79 LMNA (0.51) HDAC1HDAC3NPC1RAB9ASMN1; SMN2
SCHEMBL23842313 0.76 HDAC1 (0.78) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8612164 0.76 HDAC1 (0.78) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL13754013 0.76 KDM4E (0.51) HDAC1NPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4812181 0.75 ALDH1A1 (0.49) HDAC1HDAC3SMN1; SMN2MEN1KMT2A

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