SCHEMBL30739618

SCHEMBL30739618

CN(C(=O)c1cc(N)ccc1C#N)c1ccc(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 4/20 0.39
MAPT P10636 3/20 0.39
PIK3CA P42336 1/20 0.37
KDM4E B2RXH2 2/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.34
GFER P55789 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ABCB1 P08183 1/20 0.33
ABCC1 P33527 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL20045594 1.00 PIK3C3 (0.39) PIK3C3MAPTPIK3CAKDM4EUSP2
SCHEMBL20076473 0.86 KDM4E (0.35) PIK3C3MAPTPIK3CAKDM4EUSP2
SCHEMBL18147488 0.84 MAPT (0.44) PIK3C3MAPTPIK3CAKMT2AGPBAR1
SCHEMBL30739622 0.81 ALDH1A1 (0.44) PIK3C3MAPTALDH1A1LMNAKMT2A
SCHEMBL20045604 0.81 ALDH1A1 (0.44) PIK3C3MAPTALDH1A1LMNAKMT2A
SCHEMBL18147495 0.81 PIK3C3 (0.43) PIK3C3MAPTPIK3CAALDH1A1LMNA
SCHEMBL18146167 0.81 GPBAR1 (0.37) PIK3C3MAPTKDM4EALDH1A1LMNA
SCHEMBL18146732 0.80 TRPA1 (0.36) PIK3CAALDH1A1LMNAKMT2AGAA
SCHEMBL18146859 0.77 CYP11B1 (0.43) PIK3CAALDH1A1
SCHEMBL29241345 0.73 GPBAR1 (0.31) PIK3C3MAPTGPBAR1HTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118044519-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-05-17 CN disclosed
CN-110072842-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-02-02 CN disclosed