SCHEMBL8917140

SCHEMBL8917140

NC(CCS)C(=O)NCCc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.51
ATM Q13315 1/20 0.51
KMT2A Q03164 3/20 0.50
NPY1R P25929 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 2/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
MAPK1 P28482 1/20 0.47
CNR1 P21554 1/20 0.47
TLR2 O60603 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
HSD11B1 P28845 1/20 0.46
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 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
SCHEMBL26310077 0.83 HTT (0.52) HTTATMKMT2ANPY1RSMN1; SMN2
SCHEMBL10558453 0.81 HTT (0.62) HTTATMKMT2ASMN1; SMN2MEN1
SCHEMBL8918338 0.80 KMT2A (0.52) HTTATMKMT2ANPY1RSMN1; SMN2
SCHEMBL8918763 0.80 KMT2A (0.55) HTTATMKMT2ANPY1RSMN1; SMN2
SCHEMBL5666551 0.78 HTT (0.53) HTTATMKMT2ASMN1; SMN2MEN1
SCHEMBL4986522 0.78 HTT (0.56) HTTATMKMT2ANPY1RSMN1; SMN2
SCHEMBL10311684 0.77 HTT (0.64) HTTATMKMT2ASMN1; SMN2MEN1
SCHEMBL21794977 0.76 KMT2A (0.56) HTTATMKMT2ASMN1; SMN2ALDH1A1
SCHEMBL10448601 0.75 HTT (0.56) HTTATMKMT2ASMN1; SMN2MEN1
SCHEMBL5076600 0.75 KMT2A (0.52) HTTATMKMT2ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5656253-A Ligands useful in radiographic imaging MALLINCKRODT MEDICAL, INC. (US) 1997-08-12 US disclosed