SCHEMBL7539607

SCHEMBL7539607

CC(=O)Nc1c[nH]c2cc(Br)ccc12

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.55
CLK1 P49759 3/20 0.50
STING1 Q86WV6 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HTT P42858 1/20 0.49
CYP2A6 P11509 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
NR4A2 P43354 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
IMPDH2 P12268 1/20 0.41
GSK3B P49841 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TDO2 P48775 1/20 0.40

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
SCHEMBL24214936 0.88 MTNR1A (0.57) DYRK1ACLK1STING1ALDH1A1HTT
SCHEMBL20568974 0.86 STING1 (0.50) DYRK1ACLK1STING1CYP2A6NR4A2
SCHEMBL7484482 0.81 TDO2 (0.59) STING1MTNR1AMTNR1BTDO2
SCHEMBL15121198 0.80 MAPT (0.51) STING1CYP2A6GSK3B
SCHEMBL1612592 0.78 FBP1 (0.52) DYRK1ACLK1ALDH1A1HTTRXFP1
SCHEMBL7486709 0.78 KIF11 (0.59) DYRK1ASTING1ALDH1A1GSK3BRXFP1
SCHEMBL1596152 0.77 STING1 (0.61) STING1NR4A2
SCHEMBL461014 0.77 CYP2A6 (0.43) DYRK1ASTING1CYP2A6NR4A2CHRNB2
SCHEMBL23207628 0.76 NR4A2 (0.54) DYRK1ACLK1STING1MTNR1AMTNR1B
SCHEMBL17023350 0.76 PBRM1 (0.59) DYRK1ACLK1CYP2A6NR4A2CHRNB2

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