SCHEMBL8824404

SCHEMBL8824404

CC(=O)c1c(-c2ccccc2)nn2c1CCCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.46
FGFR1 P11362 1/20 0.46
FLT1 P17948 1/20 0.46
KDR P35968 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CDK8 P49336 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
CDK5 Q00535 1/20 0.46
PRKCQ Q04759 1/20 0.46
LRRK2 Q5S007 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
CSNK1D P48730 2/20 0.44
CSNK1E P49674 2/20 0.44
KMT2A Q03164 3/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL4833839 0.84 KMT2A (0.46) CSNK1DCSNK1EKMT2APTGS1PTGS2
Iodide SCHEMBL7957246 0.80 CSNK1D (0.40) CSNK1DCSNK1EKMT2ATP53HPGD
SCHEMBL19998087 0.79 ALDH1A1 (0.42) KMT2AHPGDALDH1A1GAASMN1; SMN2
SCHEMBL4833999 0.78 ADORA3 (0.50) HPGDALDH1A1GAASMN1; SMN2
SCHEMBL2524316 0.75 PTGS2 (0.45) KMT2AHPGDALDH1A1PTGS1PTGS2
SCHEMBL19998085 0.75 ALDH1A1 (0.42) KMT2AHPGDALDH1A1MEN1SMN1; SMN2
SCHEMBL16708793 0.73 CSNK1E (0.59) CSNK1DCSNK1E
SCHEMBL16708796 0.72 CSNK1E (0.62) CSNK1DCSNK1E
SCHEMBL16708909 0.72 CSNK1E (0.51) CSNK1DCSNK1E
SCHEMBL18725976 0.71 TGFBR1 (0.41) KDRCSNK1A1CSNK1DCSNK1EPTGER1

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-5597816-A Pyrazoloazepino substituted oximes useful as anti-atherosclerosis and anti-hypercholesterolemic agents THE UPJOHN COMPANY (US) 1997-01-28 US disclosed