SCHEMBL20698018

SCHEMBL20698018

Cc1nn(C)c(-n2cnc3cccc(C#N)c32)c1-c1ccc(F)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 5/20 0.38
▸ HSD11B1 P28845 2/20 0.38
▸ DPP4 P27487 2/20 0.37
▸ PSMB8 P28062 1/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PDE2A O00408 2/20 0.32
▸ PDE10A Q9Y233 2/20 0.32
▸ PDE7A Q13946 1/20 0.32
▸ CYP11B2 P19099 1/20 0.31
▸ BRD4 O60885 1/20 0.31

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
SCHEMBL20698020 0.88 HSD11B1 (0.40) HSD11B1DPP4IGF1RPDE2APDE10A
SCHEMBL20697929 0.88 HSD11B1 (0.40) HSD11B1DPP4IGF1RPDE2APDE10A
SCHEMBL20698191 0.86 FGFR1 (0.45) HSD11B1DPP4IGF1RPDE2APDE10A
SCHEMBL20698196 0.86 FGFR1 (0.39) ARHSD11B1DPP4IGF1RALDH1A1
SCHEMBL20698160 0.83 HSD11B1 (0.37) HSD11B1DPP4IGF1RALDH1A1PDE2A
SCHEMBL20698165 0.82 HSD11B1 (0.44) HSD11B1DPP4IGF1RPDE2APDE10A
SCHEMBL20697956 0.81 HSD11B1 (0.36) HSD11B1DPP4IGF1R
SCHEMBL20698166 0.81 HSD11B1 (0.41) HSD11B1DPP4PDE2APDE10APDE7A
SCHEMBL20697930 0.79 HSD11B1 (0.41) HSD11B1DPP4PDE2APDE10APDE7A
SCHEMBL20697928 0.79 HSD11B1 (0.41) HSD11B1DPP4IGF1RPDE2APDE10A

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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