SCHEMBL6016933

SCHEMBL6016933

COc1ccc(CNc2nc(NC3CCNCC3)nc(N(C)C3CCCCCC3)n2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
EHMT2 Q96KQ7 4/20 0.40
EHMT1 Q9H9B1 3/20 0.40
PDE5A O76074 2/20 0.39
KDM1A O60341 2/20 0.39
RCOR1 Q9UKL0 1/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
BCL6 P41182 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL4829172 0.96 APP (0.41) APPBCHEACHEEHMT2EHMT1
SCHEMBL4828965 0.87 EHMT2 (0.49) APPBCHEACHEEHMT2EHMT1
SCHEMBL4829422 0.82 BCL6 (0.49) CTSSCTSKBCL6ALDH1A1KDM4E
SCHEMBL5030894 0.80 EHMT2 (0.47) APPBCHEACHEEHMT2EHMT1
SCHEMBL4838893 0.78 EHMT2 (0.53) APPBCHEACHEEHMT2EHMT1
SCHEMBL14294097 0.77 EHMT2 (0.49) APPBCHEACHEEHMT2EHMT1
SCHEMBL4839842 0.77 EHMT2 (0.43) EHMT2EHMT1PDE5ABCL6ALDH1A1
SCHEMBL4838191 0.77 EHMT2 (0.49) APPBCHEACHEEHMT2EHMT1
SCHEMBL14533520 0.75 EHMT2 (0.47) APPBCHEACHEEHMT2EHMT1
SCHEMBL5032287 0.75 KDM4E (0.38) EHMT2EHMT1PDE5AKDM1ABCL6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132423-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2006-11-07 US disclosed