SCHEMBL6870710

SCHEMBL6870710

OC/C(F)=C/c1ccc(-n2ccnc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MITF O75030 1/20 0.53
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ENPP2 Q13822 1/20 0.51
MKNK1 Q9BUB5 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
LMNA P02545 1/20 0.47
NOTUM Q6P988 1/20 0.47
CYP3A4 P08684 3/20 0.46
BAZ2B Q9UIF8 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
MAOB P27338 3/20 0.44
ADH5 P11766 2/20 0.43
TBXAS1 P24557 2/20 0.43
CYP1A2 P05177 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
SCHEMBL6850622 1.00 MAPT (0.53) MAPTMEN1KMT2AKDM4EMITF
SCHEMBL6850615 1.00 MAPT (0.53) MAPTMEN1KMT2AKDM4EMITF
SCHEMBL6852114 0.81 ENPP2 (0.54) MAPTMEN1KMT2AKDM4EMITF
SCHEMBL6876975 0.81 ENPP2 (0.54) MAPTMEN1KMT2AKDM4EMITF
SCHEMBL6852438 0.81 QPCT (0.41) MAPTMEN1KMT2AKDM4EMITF
SCHEMBL6852443 0.81 QPCT (0.41) MAPTMEN1KMT2AKDM4EMITF
SCHEMBL6852433 0.81 QPCT (0.41) MAPTMEN1KMT2AKDM4EMITF
SCHEMBL7290730 0.77 CYP11B1 (0.60) MAPTMEN1KMT2ALMNACYP3A4
SCHEMBL7290735 0.77 CYP11B1 (0.60) MAPTMEN1KMT2ALMNACYP3A4
SCHEMBL7290725 0.77 CYP11B1 (0.60) MAPTMEN1KMT2ALMNACYP3A4

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-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed