SCHEMBL27291390

SCHEMBL27291390

Fc1ccc(N2CCC=N2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.42
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
GFER P55789 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NOTUM Q6P988 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL11401374 0.89 TP53 (0.47) TP53
SCHEMBL24527388 0.79 ALOX5 (0.37) TP53
SCHEMBL5402991 0.75 TRIM24 (0.48) TP53ALDH1A1MAPK1KDM4EMEN1
SCHEMBL17915946 0.75 TP53 (0.43) TP53ALDH1A1MAPTMAPK1LMNA
SCHEMBL8600641 0.71 ALDH1A1 (0.41) TP53ALDH1A1MAPTMAPK1LMNA
SCHEMBL11186135 0.67 MEN1 (0.44) TP53ALDH1A1MAPTTDP1KDM4E
SCHEMBL10655726 0.66 ADRA2C (0.47) TP53ALDH1A1MAPTLMNATDP1
SCHEMBL7717944 0.64 ABL1 (0.57) TP53ALDH1A1MAPTMAPK1LMNA
SCHEMBL20285407 0.64 MEN1 (0.41) TP53ALDH1A1MAPTMAPK1LMNA
SCHEMBL4067323 0.64 MAPT (0.50) TP53ALDH1A1MAPTMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110981864-B N- (4-fluorophenyl) -4, 5-dihydropyrazole compound and application thereof in pesticide 西华大学 2021-01-29 CN disclosed
CN-110981864-B N- (4-fluorophenyl) -4, 5-dihydropyrazole compound and application thereof in pesticide 西华大学 2021-01-29 CN disclosed
CN-110981864-B N- (4-fluorophenyl) -4, 5-dihydropyrazole compound and application thereof in pesticide 西华大学 2021-01-29 CN disclosed
CN-110981864-A N- (4-fluorophenyl) -4, 5-dihydropyrazole compound and application thereof in pesticide 西华大学 2020-04-10 CN disclosed
CN-110981864-A N- (4-fluorophenyl) -4, 5-dihydropyrazole compound and application thereof in pesticide 西华大学 2020-04-10 CN disclosed
CN-110981864-A N- (4-fluorophenyl) -4, 5-dihydropyrazole compound and application thereof in pesticide 西华大学 2020-04-10 CN disclosed
CN-101312974-A Pyrazoloisoquinoline derivatives PALAU PHARMA SA (ES) 2008-11-26 CN disclosed
CN-1004272-B PYRAZOLINE INSECTICIDES FMC公司 1989-05-24 CN disclosed
CN-85107882-A Preparation method for pyrazolines 1986-06-10 CN disclosed