SCHEMBL8002453

SCHEMBL8002453

Nc1c(C(=O)NO)nnn1CCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.62
TSHR P16473 2/20 0.62
ALPG P10696 1/20 0.61
KMT2A Q03164 3/20 0.60
HSD17B10 Q99714 3/20 0.60
ALDH1A1 P00352 2/20 0.60
LMNA P02545 2/20 0.60
MAPT P10636 2/20 0.60
USP2 O75604 1/20 0.60
MEN1 O00255 2/20 0.59
HPGD P15428 2/20 0.59
KDM4E B2RXH2 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
HTT P42858 1/20 0.56
CYP1A2 P05177 1/20 0.52
TP53 P04637 1/20 0.52
POLB P06746 4/20 0.50
TDP1 Q9NUW8 2/20 0.50

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
SCHEMBL8012290 0.77 KMT2A (0.52) SMN1; SMN2TSHRALPGKMT2AHSD17B10
SCHEMBL8008741 0.74 MAPT (0.57) SMN1; SMN2TSHRKMT2AHSD17B10ALDH1A1
SCHEMBL7993110 0.73 POLB (0.69) SMN1; SMN2TSHRKMT2AMAPTMEN1
SCHEMBL4758531 0.71 MAPT (0.46) SMN1; SMN2TSHRALPGKMT2AHSD17B10
SCHEMBL13401381 0.71 HPGD (1.00) SMN1; SMN2TSHRKMT2AHSD17B10MAPT
SCHEMBL11245223 0.70 HPGD (0.80) SMN1; SMN2TSHRKMT2AHSD17B10MAPT
SCHEMBL9873632 0.70 NPC1 (0.53) TSHRKMT2AALDH1A1LMNAMAPT
SCHEMBL4790828 0.69 MAPT (0.49) SMN1; SMN2TSHRALPGKMT2AHSD17B10
SCHEMBL27654437 0.69 HPGD (0.49) SMN1; SMN2TSHRALPGKMT2AHSD17B10
SCHEMBL4923135 0.68 HPGD (0.76) SMN1; SMN2TSHRKMT2AHSD17B10MAPT

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-6294572-B1 USED IN DRUGS; PHSYSICAL PROPERTIES BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2001-09-25 US disclosed