SCHEMBL3366935

SCHEMBL3366935

NN(C(=O)c1ccncc1)c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 3/20 0.46
RAB9A P51151 3/20 0.45
HSD17B10 Q99714 2/20 0.45
NPC1 O15118 2/20 0.45
MEN1 O00255 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TP53 P04637 2/20 0.41
ALDH1A1 P00352 3/20 0.41
THRB P10828 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
PLOD2 O00469 1/20 0.40
PLOD3 O60568 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL5359653 0.83 TSHR (0.49) TSHRKDM4ERAB9AHSD17B10NPC1
SCHEMBL18765295 0.80 KDM4E (0.63) TSHRKMT2AKDM4ERAB9AHSD17B10
SCHEMBL27660439 0.77 KMT2A (0.64) KMT2AKDM4ERAB9ANPC1MEN1
SCHEMBL8668737 0.77 TSHR (0.46) TSHRKMT2AKDM4ERAB9AHSD17B10
SCHEMBL19668416 0.77 TSHR (0.54) TSHRKMT2ARAB9AHSD17B10NPC1
SCHEMBL1527753 0.75 CES2 (0.47) KMT2AKDM4ERAB9AHSD17B10NPC1
SCHEMBL21588945 0.75 ALDH1A1 (0.47) TSHRKMT2ARAB9AHSD17B10NPC1
SCHEMBL9080414 0.75 TSHR (0.45) TSHRKMT2AKDM4ERAB9AHSD17B10
SCHEMBL31319103 0.73 TSHR (0.46) TSHRKMT2AKDM4ERAB9AHSD17B10
SCHEMBL10992413 0.72 TSHR (0.43) TSHRKMT2AKDM4ERAB9AHSD17B10

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204642-B1 FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-10-13 EP disclosed
US-6201023-B1 APPLYING SYNERGISTIC MIXTURE OF A B-AMINOALKYL CARBOXYLIC ACID OR DERIVATIVE AND POTASSIUM PHOSPHITE SOLUTION TO PLANT TO INDUCE RESISTANCE TO NEMATODE AGROGENE LTD. (IL) 2001-03-13 US disclosed
US-6075051-A INDUCING LOCAL AND SYSTEMIC RESISTANCE OF THE CROP BY APPLYING TO THE CROP OR ITS LOCUS A COMPOSITION CONTAINING AN EFFECTIVE AMOUNT OF AT LEAST ONE BETA-AMINOBUTYRIC ACID OR BETA-AMINO VALERIC ACID AND SALTS THEREOF AGROGENE LTD. (IL) 2000-06-13 US disclosed
WO-1998056234-A1 METHODS AND COMPOSITIONS TO PROTECT CROPS AGAINST PLANT-PARASITIC NEMATODES AGROGENE LTD. (IL) 1998-12-17 WO disclosed
US-5830919-A APPLYING AN AMINOBUTYRIC ACID COMPOUND AGROGENE LTD. (IL) 1998-11-03 US disclosed
US-5126358-A Prevention of diseases caused by fungi, bacteria, viruses CIBA-GEIGY CORPORATION (US) 1992-06-30 US disclosed
US-5126358-A Prevention of diseases caused by fungi, bacteria, viruses CIBA-GEIGY CORPORATION (US) 1992-06-30 US disclosed
US-5015649-A Fungicides, bactericides or viricides dichloroisonicotinoylhydrazine derivatives of pyridine CIBA-GEIGY CORPORATION (US) 1991-05-14 US disclosed
US-5015649-A Fungicides, bactericides or viricides dichloroisonicotinoylhydrazine derivatives of pyridine CIBA-GEIGY CORPORATION (US) 1991-05-14 US disclosed
EP-0288976-A2 Protecting agent for plant diseases CIBA-GEIGY AG (CH) 1988-11-02 EP disclosed