SCHEMBL7667162

SCHEMBL7667162

C(=NCc1ccccc1)c1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PC1 P35575 1/20 0.60
TAAR1 Q96RJ0 1/20 0.57
ALDH1A1 P00352 3/20 0.56
MAPT P10636 3/20 0.56
POLB P06746 1/20 0.56
MAPK1 P28482 1/20 0.56
ADORA2A P29274 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
CYP11B2 P19099 2/20 0.52
CYP11B1 P15538 1/20 0.52
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48
MAPK10 P53779 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CA2 P00918 2/20 0.46
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CA1 P00915 1/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL7667155 1.00 G6PC1 (0.60) G6PC1TAAR1ALDH1A1MAPTPOLB
SCHEMBL8773057 0.91 ALDH1A1 (0.58) G6PC1TAAR1ALDH1A1MAPTPOLB
SCHEMBL21391961 0.91 ALDH1A1 (0.58) G6PC1TAAR1ALDH1A1MAPTPOLB
SCHEMBL8773053 0.91 ALDH1A1 (0.58) G6PC1TAAR1ALDH1A1MAPTPOLB
SCHEMBL9246213 0.90 TP53 (0.55) G6PC1TAAR1ALDH1A1MAPTPOLB
SCHEMBL9246218 0.90 TP53 (0.55) G6PC1TAAR1ALDH1A1MAPTPOLB
SCHEMBL30382410 0.85 KDM4E (0.55) G6PC1TAAR1ALDH1A1MAPTPOLB
SCHEMBL4253696 0.82 ALDH1A1 (0.60) G6PC1TAAR1ALDH1A1MAPTPOLB
SCHEMBL4253702 0.82 ALDH1A1 (0.60) G6PC1TAAR1ALDH1A1MAPTPOLB
SCHEMBL24154364 0.82 NPC1 (0.53) TAAR1ALDH1A1MAPTPOLBSMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407248-B1 INSECTICIDES, MITICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-06-18 US disclosed
US-6124297-A COMBATTING INSECTS OR MITES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-26 US disclosed
US-5935981-A INSECTICIDAL/MITICIDAL ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-10 US disclosed
US-5849768-A α-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-15 US disclosed
EP-0529680-B1 Intermediates, their production and their use for preparing alpha-unsaturated amines TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-05-13 EP disclosed
CN-1093083-A The method for preparing α-unsaturated amine or its salt TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-10-05 CN disclosed
EP-0302389-B1 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-12-22 EP disclosed
US-5214152-A Insecticides, miticides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-05-25 US disclosed
EP-0529680-A2 Intermediates, their production and their use for preparing alpha-unsaturated amines TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-03-03 EP disclosed
US-5175301-A Insecticide, miticide, pesticide TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-29 US disclosed
EP-0509559-A2 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-21 EP disclosed
EP-0302389-A2 Alpha-unsaturated amines, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-08 EP disclosed