SCHEMBL4812192

SCHEMBL4812192

NCCNC(=O)c1ccccc1C(=O)c1ccc(Cl)c(N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAOB P27338 2/20 0.48
CYP1A2 P05177 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
KDM4E B2RXH2 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
HDAC1 Q13547 4/20 0.46
HDAC3 O15379 3/20 0.46
TERT O14746 2/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SLC6A2 P23975 1/20 0.40

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
SCHEMBL4807423 0.91 HDAC1 (0.51) LMNASMN1; SMN2POLBALDH1A1TSHR
SCHEMBL4807419 0.86 HDAC1 (0.49) LMNASMN1; SMN2POLBALDH1A1TSHR
SCHEMBL13754013 0.86 KDM4E (0.51) LMNASMN1; SMN2POLBALDH1A1TSHR
SCHEMBL4812181 0.85 ALDH1A1 (0.49) LMNASMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL4801436 0.82 MAPT (0.50) LMNASMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL4808274 0.81 HTT (0.55) LMNASMN1; SMN2POLBALDH1A1KMT2A
SCHEMBL4805173 0.80 HDAC1 (0.53) LMNASMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL4801474 0.79 HDAC1 (0.55) LMNASMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL1246757 0.79 HDAC3 (0.57) ALDH1A1MAOBCYP1A2TSHRNFKB1
SCHEMBL614963 0.78 ALDH1A1 (0.77) LMNAPOLBALDH1A1KDM4E

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