SCHEMBL16705809

SCHEMBL16705809

CCc1ccc(/N=N/C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.50
CYP2C9 P11712 1/20 0.45
TP53 P04637 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CYP2A6 P11509 1/20 0.39
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
CA2 P00918 1/20 0.37
TSHR P16473 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
SCHEMBL14502153 1.00 PLAU (0.50) PLAUCYP2C9TP53GRIN2DGRIN3B
SCHEMBL24212689 0.87 PLAU (0.56) PLAUCYP2C9TP53GRIN2DGRIN3B
SCHEMBL13638200 0.87 PLAU (0.56) PLAUCYP2C9TP53GRIN2DGRIN3B
SCHEMBL17732555 0.81 MAPT (0.42) ALDH1A1SMN1; SMN2MAPTTSHRMAPK1
SCHEMBL2720522 0.79 PLAU (0.54) PLAUCYP2C9TP53GRIN2DGRIN3B
SCHEMBL1405463 0.78 TP53 (0.59) PLAUCYP2C9TP53GRIN2DGRIN3B
SCHEMBL1405461 0.78 TP53 (0.59) PLAUCYP2C9TP53GRIN2DGRIN3B
SCHEMBL13482873 0.78 NOS3 (0.52) PLAUCYP2C9CA2TSHRCHRNA7
SCHEMBL23511155 0.78 PLAU (0.48) PLAUCYP2C9TP53GRIN2DGRIN3B
SCHEMBL16258132 0.78 PLAU (0.54) PLAUCYP2C9TP53GRIN2DGRIN3B

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-20150129280-A1 STRUCTURE INCLUDING MOLECULAR MONOLAYER AND GRAPHENE ELECTRODE, FLEXIBLE ELECTRONIC DEVICE, AND METHOD OF PRODUCING THE SAME Research & Business Foundation Sungkyunkwan University (KR) 2015-05-14 US disclosed