SCHEMBL7486709

SCHEMBL7486709

CC(=O)Nc1c[nH]c2cc(C(F)(F)F)ccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.59
CYP1A2 P05177 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
HPGD P15428 1/20 0.53
ALOX12 P18054 1/20 0.53
KMT2A Q03164 1/20 0.53
STING1 Q86WV6 1/20 0.52
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
HSD17B10 Q99714 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
TOP2A P11388 3/20 0.46
GSK3B P49841 1/20 0.44
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL7484482 0.81 TDO2 (0.59) STING1TOP2AIDO1TDO2
SCHEMBL30934638 0.78 SNCA (0.48) KIF11CYP1A2HPGDSTING1CYP2C9
SCHEMBL25025855 0.78 STING1 (0.48) KIF11CYP1A2STING1CYP2C9CYP2C19
SCHEMBL25024569 0.78 STING1 (0.48) KIF11CYP1A2ALDH1A1MEN1HPGD
SCHEMBL30233809 0.78 STING1 (0.48) KIF11CYP1A2ALDH1A1MEN1HPGD
SCHEMBL25025764 0.78 SNCA (0.48) KIF11CYP1A2HPGDSTING1CYP2C9
SCHEMBL31757548 0.78 STING1 (0.48) KIF11CYP1A2STING1CYP2C9CYP2C19
SCHEMBL7539607 0.78 DYRK1A (0.55) ALDH1A1STING1RXFP1GSK3BTDO2
SCHEMBL25025556 0.76 STING1 (0.46) KIF11CYP1A2STING1CYP2C9CYP2C19
SCHEMBL29226635 0.76 STING1 (0.41) KIF11CYP1A2STING1CYP2C9CYP2C19

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-1242420-A2 AGENTS AND METHODS FOR THE TREATMENT OF PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2002-09-25 EP disclosed
WO-2001044247-A2 AGENTS AND METHODS FOR THE TREATMENT OF PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2001-06-21 WO disclosed