SCHEMBL20698323

SCHEMBL20698323

Cn1nc(C(F)(F)F)c(-c2ccc(F)cc2Cl)c1-n1cnc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.43
▸ PDE2A O00408 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.38
▸ GRM2 Q14416 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ IGF1R P08069 2/20 0.35
▸ POLB P06746 1/20 0.34
▸ MKNK2 Q9HBH9 1/20 0.34
▸ HPGD P15428 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL20698165 0.86 HSD11B1 (0.44) HSD11B1PDE2APDE10AGRM2FGFR1
SCHEMBL20698322 0.84 HSD11B1 (0.40) HSD11B1GRM2FGFR1KDM4EIGF1R
SCHEMBL20698324 0.78 HSD11B1 (0.40) HSD11B1PDE2APDE10AGRM2FGFR1
SCHEMBL20697928 0.78 HSD11B1 (0.41) HSD11B1PDE2APDE10AFGFR1IGF1R
SCHEMBL20697930 0.78 HSD11B1 (0.41) HSD11B1PDE2APDE10A
SCHEMBL20698149 0.76 GRM2 (0.41) HSD11B1GRM2FGFR1KDM4EPOLB
SCHEMBL20697939 0.75 MAPK1 (0.41) GRM2FGFR1POLBHTT
SCHEMBL20698028 0.75 FGFR1 (0.45) HSD11B1FGFR1KDM4ELMNATSHR
SCHEMBL20698122 0.75 FGFR1 (0.41) HSD11B1PDE2APDE10AFGFR1KDM4E
SCHEMBL20698133 0.73 POLB (0.52) HSD11B1PDE2APDE10APOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019020981-A1 PYRAZOLE, ISOTHIAZOLE AND ISOXAZOLE DERIVATIVES USEFUL AS AGRICULTURAL FUNGICIDES REDAG CROP PROTECTION LTD. (GB) 2019-01-31 — — WO disclosed
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