SCHEMBL8302360

SCHEMBL8302360

Clc1ccc2ncc(C#Cc3ccccc3)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.56
PDGFRA P16234 1/20 0.56
ALDH1A1 P00352 1/20 0.45
GRM5 P41594 7/20 0.44
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43
TNIK Q9UKE5 2/20 0.40
ADK P55263 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA1 P30542 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
APP P05067 1/20 0.39

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
SCHEMBL8296430 0.87 PDGFRB (0.56) PDGFRBPDGFRAALDH1A1GRM5PLAU
SCHEMBL18253192 0.81 ALDH1A1 (0.65) PDGFRBPDGFRAALDH1A1GRM5APP
SCHEMBL29827843 0.76 ABL1 (0.42) PDGFRBPDGFRAALDH1A1GRM5PTGDR2
SCHEMBL26613541 0.75 PDGFRB (0.54) PDGFRBPDGFRAALDH1A1ADORA3ADORA1
SCHEMBL26003354 0.74 PDGFRB (0.52) PDGFRBPDGFRAALDH1A1GRM5APP
SCHEMBL11306433 0.73 ABL1 (0.53) PTGDR2
SCHEMBL31060615 0.72 PDGFRB (1.00) PDGFRBPDGFRAALDH1A1
SCHEMBL16288953 0.72 PDGFRB (0.39) PDGFRBPDGFRAALDH1A1ADORA3ADORA1
SCHEMBL13516538 0.69 GRM5 (0.61) GRM5PLAUPLATADKAPP
SCHEMBL21858115 0.69 ALDH1A1 (0.58) PDGFRBPDGFRAALDH1A1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0508469-B1 3,4,N-Trisubstituted-4,5-dihydro-1H-pyrazole-1-carboxamides and their use as insecticides DOWELANCO (US) 1999-03-03 EP disclosed
US-5493024-A 1,2-DIARYL-2-PROPEN-1-ONE CHEMICAL INTERMEDIATE COMPOUND DOWELANCO (US) 1996-02-20 US disclosed
US-5250532-A Moths. termites DOWELANCO (US) 1993-10-05 US disclosed
EP-0508469-A1 3,4,N-Trisubstituted-4,5-dihydro-1H-pyrazole-1-carboxamides and their use as insecticides DOWELANCO (US) 1992-10-14 EP disclosed