SCHEMBL8896795

SCHEMBL8896795

N#Cc1ncc(C#Cc2ccc(Cl)cc2)cc1N

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.45
ADK P55263 11/20 0.43
TMPRSS4 Q9NRS4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
GRM5 P41594 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL125638 0.76 PIK3CD (0.51) PIK3CDKDM4EALDH1A1POLB
SCHEMBL1010354 0.72 GRM5 (0.46) ADKKDM4EALDH1A1POLBGRM5
SCHEMBL8895846 0.72 GRM5 (0.46) ADKGRM5MAOAMAOB
SCHEMBL1477122 0.71 MAOA (0.44) TMPRSS4GRM5MAOAMAOB
SCHEMBL1008733 0.71 KDM4E (0.49) KDM4EALDH1A1POLBGRM5
SCHEMBL11614947 0.68 PIK3CD (0.55) PIK3CDKDM4EALDH1A1POLB
SCHEMBL1008935 0.68 KDM4E (0.41) KDM4EALDH1A1POLB
SCHEMBL24011999 0.68 PIK3CD (0.59) PIK3CDKDM4EALDH1A1
SCHEMBL1008436 0.67 GRM5 (0.44) KDM4EALDH1A1POLBGRM5
SCHEMBL1007768 0.67 MAPT (0.43) KDM4EALDH1A1POLBGRM5MAOA

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
US-5639753-A CONTROLLING INSECTS IN AGRICULTURE CROPS FMC CORPORATION (US) 1997-06-17 US disclosed
US-5532367-A LARVICIDES FMC CORPORATION (US) 1996-07-02 US disclosed
US-5521190-A USEFUL AGAINST TOBACCO BUDWORM FMC CORPORATION (US) 1996-05-28 US disclosed
WO-1994027439-A1 INSECTICIDAL PTERIDINES AND 8-DEAZAPTERIDINES FMC CORPORATION (US) 1994-12-08 WO disclosed