SCHEMBL8987834

SCHEMBL8987834

CCc1nccc(NC(=O)Cc2ccc(Oc3ccc(Cl)cc3)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
CSNK1D P48730 2/20 0.49
FFAR2 O15552 1/20 0.47
MAPK10 P53779 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 2/20 0.46
RIOK2 Q9BVS4 2/20 0.46
GSK3A P49840 1/20 0.46
MAPK8 P45983 1/20 0.45
MAPK9 P45984 1/20 0.45
NPC1 O15118 1/20 0.45
LTA4H P09960 1/20 0.45
EPHX2 P34913 1/20 0.45
MAPT P10636 2/20 0.43
P2RX3 P56373 1/20 0.43
RORC P51449 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
SCHEMBL8987764 0.90 RIOK2 (0.51) KMT2AMAPK10L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL8987820 0.90 RAB9A (0.49) KMT2ACSNK1DFFAR2MAPK10L3MBTL1
SCHEMBL8987866 0.89 ALDH1A1 (0.46) KMT2AMAPK10L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL8987813 0.88 ALDH1A1 (0.49) KMT2AMAPK10L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL8987836 0.86 KMT2A (0.53) KMT2ACSNK1DFFAR2MAPK10L3MBTL1
SCHEMBL8988013 0.86 RIOK2 (0.48) CSNK1DMAPK10L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL8987819 0.86 MAPK10 (0.45) KMT2AMAPK10L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL8988041 0.85 POLB (0.57) KMT2AMAPK10L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL8987842 0.84 SMN1; SMN2 (0.56) MAPK10L3MBTL1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL8987895 0.83 KMT2A (0.50) KMT2ACSNK1DFFAR2MAPK10L3MBTL1

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-5556859-A N-(4-pyrimidinyl)amide pesticides DOWELANCO (US) 1996-09-17 US disclosed