SCHEMBL8987803

SCHEMBL8987803

O=C(Cc1ccc(Oc2ccc(F)cc2)cc1)Nc1ccnc(C2CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.44
CCNA2 P20248 3/20 0.44
CCNA1 P78396 3/20 0.44
LTA4H P09960 1/20 0.44
EPHX2 P34913 1/20 0.44
ABL1 P00519 1/20 0.43
P2RX7 Q99572 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK10 P53779 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.43
WNT3A P56704 1/20 0.43
CCNE1 P24864 3/20 0.42
CDK5 Q00535 4/20 0.42
CDK5R1 Q15078 3/20 0.42
CSF1R P07333 2/20 0.42
MET P08581 2/20 0.42
PDGFRB P09619 2/20 0.42
PDGFRA P16234 2/20 0.42

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
SCHEMBL8987725 0.96 CDK5 (0.46) CDK2CCNA2CCNA1LTA4HEPHX2
SCHEMBL8987824 0.89 KMT2A (0.50) CDK2CCNA2CCNA1LTA4HEPHX2
SCHEMBL8987987 0.88 RIOK2 (0.47) CDK2CCNA2CCNA1LTA4HEPHX2
SCHEMBL8987780 0.84 RIOK2 (0.46) CDK2CCNA2CCNA1LTA4HEPHX2
SCHEMBL8987786 0.83 CACNA1I (0.50) CDK2CCNA2CCNA1P2RX7ALDH1A1
SCHEMBL8987749 0.83 LTA4H (0.46) LTA4HEPHX2ALDH1A1MAPK10SMN1; SMN2
SCHEMBL8987841 0.81 MAPK14 (0.50) LTA4HEPHX2ALDH1A1MAPK10SMN1; SMN2
SCHEMBL8987866 0.81 ALDH1A1 (0.46) LTA4HEPHX2ALDH1A1MAPK10SMN1; SMN2
SCHEMBL8987613 0.80 ANO1 (0.47) LTA4HEPHX2ALDH1A1MAPK10SMN1; SMN2
SCHEMBL8988002 0.80 MAPK14 (0.49) LTA4HEPHX2ALDH1A1MAPK10SMN1; SMN2

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