SCHEMBL21119489

SCHEMBL21119489

N=NN(C(N)=O)c1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.41
PRSS1 P07477 3/20 0.41
PLAU P00749 2/20 0.41
PLG P00747 1/20 0.41
KLKB1 P03952 1/20 0.41
KLK1 P06870 1/20 0.41
HTR3E A5X5Y0 2/20 0.40
HTR3B O95264 2/20 0.40
HTR3A P46098 2/20 0.40
HTR3D Q70Z44 2/20 0.40
HTR3C Q8WXA8 2/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
EPHX1 P07099 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 2/20 0.36

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
SCHEMBL21119570 0.78 NPSR1 (0.41) PLAUSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL9547587 0.77 ESR1 (0.49) F2PRSS1PLAUPLGKLKB1
SCHEMBL651823 0.74 ESR1 (0.42) F2PRSS1PLAUPLGKLKB1
SCHEMBL8325081 0.74 ESR1 (0.42) F2PRSS1PLAUPLGKLKB1
SCHEMBL14385153 0.74 PLAU (0.45) PLAUESR1ESR2CES2CES1
SCHEMBL27605169 0.70 ALDH1A1 (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL21119566 0.70 GRIN2D (0.39) PRSS1MEN1ALDH1A1KMT2A
SCHEMBL21120016 0.70 AKR1C3 (0.36)
SCHEMBL21119519 0.69 NOS3 (0.47) SMN1; SMN2MEN1ALDH1A1KMT2AKDM4E
SCHEMBL9547516 0.69 NPSR1 (0.54) ESR1ESR2CES2CES1SMN1; SMN2

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
EP-3250565-B1 TETRAZOLONES AS CARBOXYLIC ACID BIOISOSTERES RIGEL PHARMACEUTICALS INC (US) 2019-07-03 EP disclosed