SCHEMBL11079561

SCHEMBL11079561

Cn1nnc(-c2ccccc2C(N)=O)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.46
PDK2 Q15119 1/20 0.45
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 1/20 0.43
GRM5 P41594 2/20 0.42
CSNK1A1 P48729 1/20 0.41
TYRO3 Q06418 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
DPP4 P27487 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
TP53 P04637 1/20 0.38
ABCG2 Q9UNQ0 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
SCHEMBL5504833 0.86 PDK2 (0.46) PDK2NPC1RAB9AKMT2AGRM5
SCHEMBL28704926 0.79 RAB9A (0.48) BCAT2NPC1RAB9AKMT2AGRM5
SCHEMBL30823709 0.75 HCRTR1 (0.49) BCAT2KDM4ENPC1RAB9AGRM5
SCHEMBL2647877 0.75 PDK2 (0.50) PDK2KDM4EKMT2AGRM5MAPK1
SCHEMBL20073445 0.73 TYK2 (0.46) PDK2ALDH1A1MAPT
SCHEMBL4927936 0.72 MKNK1 (0.44) NPC1RAB9ACYP1A2TP53
SCHEMBL9823051 0.72 PDK2 (0.42) PDK2
SCHEMBL17080330 0.72 BCAT2 (0.46) BCAT2KDM4ENPC1RAB9AGRM5
SCHEMBL3343751 0.72 WNT1 (0.39) NPC1RAB9AKMT2ATP53TSHR
SCHEMBL30964842 0.71 BCAT2 (0.53) BCAT2KDM4ENPC1RAB9AKMT2A

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-4474792-A N-Tetrazolyl benzamides and anti-allergic use thereof RIKER LABORATORIES, INC. (US) 1984-10-02 US disclosed
US-4432986-A N-(TETRAZOL-5-YL)-(DIBENZOTHIOPHENE-, OR DIBENZOFURAN-, OR 1,3-BEZODIOXOLE-, OR NAPHTHALENE-)-4-CARBOXAMIDE RIKER LABORATORIES, INC. (US) 1984-02-21 US disclosed