SCHEMBL8934585

SCHEMBL8934585

COc1ccn2cc(CCc3ccc(NC4=NCCS4)cc3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 10/20 0.52
AOC3 Q16853 1/20 0.47
TSHR P16473 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 2/20 0.43
METTL3 Q86U44 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 1/20 0.38

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 0.87 NPY1R (0.50) NPY1RAOC3TSHRKDM4EALDH1A1
SCHEMBL8934601 0.82 SMN1; SMN2 (0.53) NPY1RAOC3TSHRKDM4EALDH1A1
SCHEMBL8934514 0.76 KMT2A (0.46) NPY1RKDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL8934598 0.73 RAB9A (0.59) NPY1RTSHRKDM4EALDH1A1GAA
SCHEMBL23299516 0.71 GAA (0.62) NPY1RTSHRKDM4EALDH1A1GAA
SCHEMBL9376270 0.69 KDM4E (0.44) KDM4EALDH1A1GAAMETTL3KMT2A
SCHEMBL14000786 0.69 NPY1R (1.00) NPY1R
SCHEMBL21835433 0.68 KDM4E (0.46) KDM4EALDH1A1GAAMETTL3L3MBTL1
SCHEMBL8934533 0.67 NPY1R (0.50) NPY1RAOC3ALDH1A1GAA
SCHEMBL13080337 0.67 METTL3 (0.49) KDM4EALDH1A1GAAMETTL3L3MBTL1

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