SCHEMBL8934518

SCHEMBL8934518

Cc1ccn2cc(CCc3ccc(NC4=NCCS4)cc3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 9/20 0.50
AOC3 Q16853 1/20 0.49
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 6/20 0.45
HPGD P15428 3/20 0.42
POLB P06746 2/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL8934585 0.87 NPY1R (0.52) NPY1RAOC3KDM4EALDH1A1GAA
SCHEMBL8934598 0.85 RAB9A (0.59) NPY1RKDM4EALDH1A1HPGDPOLB
SCHEMBL8934601 0.84 SMN1; SMN2 (0.53) NPY1RAOC3KDM4EALDH1A1HPGD
SCHEMBL8934514 0.84 KMT2A (0.46) NPY1RKDM4EALDH1A1POLBLMNA
SCHEMBL8934533 0.80 NPY1R (0.50) NPY1RAOC3ALDH1A1HPGDPOLB
SCHEMBL8934504 0.78 NPY1R (0.48) NPY1RAOC3ALDH1A1HPGDPOLB
SCHEMBL9382149 0.74 KDM4E (0.53) KDM4EALDH1A1HPGDPOLBGAA
SCHEMBL8934664 0.69 AOC3 (0.65) NPY1RAOC3HPGDPOLB
SCHEMBL8934597 0.69 AOC3 (0.56) NPY1RAOC3HPGDPOLBHSD17B10
SCHEMBL9629092 0.69 POLB (0.55) NPY1RAOC3ALDH1A1HPGDPOLB

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