SCHEMBL30006977

SCHEMBL30006977

Cc1c(C(O)(CN)C2CC2)nc(-c2ccc(F)cc2)c(F)c1C(C)(C)O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 2/20 0.35
CYP19A1 P11511 2/20 0.32
MAPK14 Q16539 1/20 0.31
NR3C1 P04150 1/20 0.31
DPP4 P27487 1/20 0.30
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRA2A P08913 1/20 0.30
CYP11B1 P15538 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
CYP11B2 P19099 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
HRH2 P25021 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
CFTR P13569 1/20 0.30

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
SCHEMBL25686861 1.00 SLC34A1 (0.35) SLC34A1CYP19A1MAPK14NR3C1DPP4
SCHEMBL23958787 0.91 SLC34A1 (0.33) SLC34A1CYP19A1MAPK14NR3C1CYP11B1
SCHEMBL30007885 0.91 SLC34A1 (0.33) SLC34A1CYP19A1MAPK14NR3C1CYP11B1
SCHEMBL25687000 0.91 SLC34A1 (0.33) SLC34A1CYP19A1MAPK14NR3C1CYP11B1
SCHEMBL25686999 0.91 SLC34A1 (0.33) SLC34A1CYP19A1MAPK14NR3C1CYP11B1
SCHEMBL25234571 0.84 CKS1B (0.35) SLC34A1DPP4ALDH1A1NPSR1CFTR
SCHEMBL30471261 0.81 GRM2 (0.36) SLC34A1ALDH1A1CFTR
SCHEMBL25686858 0.81 GRM2 (0.36) SLC34A1ALDH1A1CFTR
SCHEMBL25230656 0.77 MAPK14 (0.32) CYP19A1MAPK14DPP4
SCHEMBL25231387 0.77 CKS1B (0.36) SLC34A1DPP4ALDH1A1NPSR1CFTR

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
CN-115461336-A RSV inhibiting 3-substituted quinoline and cinnoline derivatives 爱尔兰詹森科学公司 2022-12-09 CN disclosed