SCHEMBL7819484

SCHEMBL7819484

COc1ccccc1CNc1cc(C)nc2cc(C(C)(C)C)nn12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.59
KCNN3 Q9UGI6 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 3/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 5/20 0.44
GAA P10253 3/20 0.44
THRB P10828 2/20 0.43
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 5/20 0.43
POLB P06746 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HSD17B10 Q99714 5/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CASP1 P29466 1/20 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
SCHEMBL7819164 0.91 TP53 (0.49) TP53KCNN3SMN1; SMN2MEN1KMT2A
SCHEMBL7829399 0.89 TP53 (0.48) TP53KCNN3MEN1KMT2AHPGD
SCHEMBL7819220 0.78 KDM4E (0.58) TP53SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL7831493 0.76 CDK2 (0.54) TP53SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL7830106 0.76 PDE2A (0.48) TP53SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL7830853 0.75 F2 (0.48) TP53SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL7833669 0.75 GSK3B (0.57) TP53SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL7827833 0.74 KDM4E (0.56) TP53SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL7830946 0.74 TP53 (0.48) TP53MEN1KMT2AHPGDLMNA
SCHEMBL7827676 0.72 ALDH1A1 (0.47) TP53MEN1KMT2AHPGDLMNA

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