SCHEMBL4055814

SCHEMBL4055814

CCC(=O)NSc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 1/20 0.49
PKM P14618 1/20 0.49
ALDH1A1 P00352 8/20 0.48
RAB9A P51151 5/20 0.48
LMNA P02545 2/20 0.48
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 2/20 0.45
NPC1 O15118 3/20 0.45
HPGD P15428 4/20 0.44
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK10 P53779 1/20 0.43
RGS12 O14924 1/20 0.43

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
SCHEMBL4172656 0.84 EHMT2 (0.48) SMN1; SMN2KMT2AMEN1PKMALDH1A1
Hydrochloric Acid SCHEMBL27355891 0.79 ALDH1A1 (0.49) SMN1; SMN2KMT2AMEN1PKMALDH1A1
SCHEMBL10347562 0.79 ALDH1A1 (0.50) SMN1; SMN2KMT2AMEN1PKMALDH1A1
SCHEMBL11488552 0.78 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AMEN1PKMALDH1A1
SCHEMBL11222134 0.78 LMNA (0.44) SMN1; SMN2KMT2AMEN1PKMALDH1A1
SCHEMBL249336 0.77 EHMT2 (0.47) SMN1; SMN2KMT2AMEN1PKMALDH1A1
SCHEMBL8794735 0.75 HPGD (0.67) SMN1; SMN2KMT2AMEN1PKMALDH1A1
Propionic Acid SCHEMBL28700286 0.74 EHMT2 (0.63) SMN1; SMN2KMT2AMEN1PKMALDH1A1
SCHEMBL1607377 0.74 LMNA (0.51) SMN1; SMN2KMT2AMEN1PKMALDH1A1
SCHEMBL8619200 0.73 HPGD (0.57) SMN1; SMN2KMT2AMEN1PKMALDH1A1

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
WO-2009076673-A2 LIGAND CONJUGATED THERMOTHERAPY SUSCEPTORS AND METHODS FOR PREPARING SAME ADURO BIOTECH (US) 2009-06-18 WO disclosed