SCHEMBL7659932

SCHEMBL7659932

COc1ccc(OC)c(NC(=O)Nc2ccnc3ccccc23)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.67
HTR2B P41595 3/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
KDM4E B2RXH2 1/20 0.67
ALDH1A1 P00352 1/20 0.67
HPGD P15428 1/20 0.67
HSP90AA1 P07900 1/20 0.65
GAA P10253 1/20 0.60
MAPT P10636 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
KDR P35968 4/20 0.56
CLK2 P49760 4/20 0.56
HIPK4 Q8NE63 4/20 0.56
CLK4 Q9HAZ1 4/20 0.56
STK17A Q9UEE5 4/20 0.56
MAP4K5 Q9Y4K4 3/20 0.56
MAP4K4 O95819 3/20 0.56
CDK2 P24941 3/20 0.56
CDK5 Q00535 3/20 0.56

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
Hydrochloric Acid SCHEMBL7659686 0.85 RAB9A (0.58) HTR2CHTR2BMEN1KMT2AGAA
SCHEMBL7370903 0.84 HTR2C (0.70) HTR2CHTR2BMEN1KMT2AMAPT
SCHEMBL7375771 0.83 HTR2C (0.81) HTR2CHTR2BMEN1KMT2AKDM4E
SCHEMBL7447310 0.83 HTR2C (0.67) HTR2CHTR2BMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL7655749 0.82 HTR2C (0.65) HTR2CHTR2BKDM4EALDH1A1KDR
SCHEMBL7369676 0.81 HTR2C (0.78) HTR2CHTR2BKDM4EMAPTKDR
SCHEMBL7454585 0.81 HTR2C (0.77) HTR2CHTR2BMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL7655770 0.81 HTR2C (0.77) HTR2CHTR2BKDRCLK2HIPK4
SCHEMBL27579461 0.80 PLK4 (0.73) HTR2CHTR2BMEN1KMT2AKDM4E
SCHEMBL19427718 0.80 MAPT (0.79) MEN1KMT2AKDM4EALDH1A1HPGD

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
US-6410529-B1 DIETETICS; NON-INSULIN DEPENDENT DIABETES; SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 US claimed
US-6410529-B1 DIETETICS; NON-INSULIN DEPENDENT DIABETES; SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 US disclosed