SCHEMBL7829401

SCHEMBL7829401

COC(Cc1ccccc1)Nc1cc(C)nc2cc(C(C)(C)C)nn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
LTK P29376 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CDK8 P49336 1/20 0.40
CLK2 P49760 1/20 0.40
CDK5 Q00535 1/20 0.40
ACVR1 Q04771 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
KDM4E B2RXH2 9/20 0.38
ALDH1A1 P00352 5/20 0.38
RAB9A P51151 4/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 4/20 0.38
NPC1 O15118 4/20 0.38
POLB P06746 3/20 0.38
CRHR1 P34998 1/20 0.37
PDE2A O00408 2/20 0.35
TP53 P04637 2/20 0.34

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
SCHEMBL7830853 0.77 F2 (0.48) AURKACSF1RRETLTKCSNK1A1
SCHEMBL7827676 0.74 ALDH1A1 (0.47) AURKACSF1RRETLTKCSNK1A1
SCHEMBL7819234 0.71 ALDH1A1 (0.46) AURKACSF1RRETLTKCSNK1A1
SCHEMBL7819484 0.71 TP53 (0.59) AURKACSF1RRETLTKCSNK1A1
SCHEMBL7830946 0.71 TP53 (0.48) KDM4EALDH1A1RAB9AHPGDHSD17B10
SCHEMBL7833669 0.70 GSK3B (0.57) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL2052108 0.69 GRN (0.39) AURKACSF1RRETLTKCSNK1A1
SCHEMBL7831493 0.68 CDK2 (0.54) AURKACSF1RRETLTKCSNK1A1
SCHEMBL7819220 0.68 KDM4E (0.58) AURKACSF1RRETLTKCSNK1A1
SCHEMBL2044526 0.67 PSIP1 (0.43) AURKACSF1RRETLTKCSNK1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1149835-A1 FAT ACCUMULATION INHIBITORY AGENTS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-10-31 EP claimed
EP-1149835-A1 FAT ACCUMULATION INHIBITORY AGENTS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-10-31 EP disclosed