SCHEMBL8934601

SCHEMBL8934601

c1ccn2cc(CCc3ccc(NC4=NCCS4)cc3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
LMNA P02545 1/20 0.53
AOC3 Q16853 1/20 0.49
NPY1R P25929 9/20 0.48
POLB P06746 2/20 0.48
PDE10A Q9Y233 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL8934518 0.84 NPY1R (0.50) SMN1; SMN2LMNAAOC3NPY1RPOLB
SCHEMBL8934585 0.82 NPY1R (0.52) AOC3NPY1RALDH1A1L3MBTL1KDM4E
SCHEMBL8934597 0.74 AOC3 (0.56) AOC3NPY1RPOLBHPGDHSD17B10
SCHEMBL8934664 0.71 AOC3 (0.65) AOC3NPY1RPOLBHPGD
SCHEMBL8934623 0.70 AOC3 (0.55) AOC3NPY1RPOLBHPGD
SCHEMBL8934565 0.69 AOC3 (0.70) NPC1RAB9ALMNAAOC3NPY1R
SCHEMBL8934598 0.69 RAB9A (0.59) SMN1; SMN2NPC1RAB9ALMNANPY1R
SCHEMBL8934522 0.69 POLB (0.52) LMNAAOC3NPY1RPOLBALDH1A1
SCHEMBL9629092 0.68 POLB (0.55) SMN1; SMN2NPC1RAB9AAOC3NPY1R
SCHEMBL8934514 0.68 KMT2A (0.46) SMN1; SMN2NPC1RAB9ALMNANPY1R

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-1996030350-A1 AMIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-03 WO disclosed