SCHEMBL3756284

SCHEMBL3756284

COc1nc(C=CC(=O)NN)ccc1-n1cnc(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 18/20 0.42
PSEN2 P49810 18/20 0.42
APH1B Q8WW43 18/20 0.42
NCSTN Q92542 18/20 0.42
APH1A Q96BI3 18/20 0.42
PSENEN Q9NZ42 18/20 0.42
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
KCNH2 Q12809 2/20 0.38
APP P05067 2/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL3756277 1.00 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL909502 0.99 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL909504 0.99 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL909164 0.89 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL909162 0.89 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL908735 0.88 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL908740 0.88 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7909191 0.88 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL3131111 0.88 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL3135696 0.88 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A

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
WO-2010098496-A1 PROCESS FOR PRODUCING TETRAHYDROTRIAZOLOPYRIDINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 WO claimed
WO-2010098496-A1 PROCESS FOR PRODUCING TETRAHYDROTRIAZOLOPYRIDINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 WO disclosed