SCHEMBL29454976

SCHEMBL29454976

CNC(=O)c1cc(C#N)cc(C)c1NC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 15/20 0.36
▸ SLC2A3 P11169 15/20 0.36
▸ SLC2A4 P14672 15/20 0.36
▸ SLC2A2 P11168 7/20 0.36
▸ DHODH Q02127 2/20 0.32
▸ CACNA1H O95180 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL798149 1.00 SLC2A1 (0.36) SLC2A1SLC2A3SLC2A4SLC2A2DHODH
SCHEMBL29454972 1.00 SLC2A1 (0.36) SLC2A1SLC2A3SLC2A4SLC2A2DHODH
SCHEMBL29454974 1.00 SLC2A1 (0.36) SLC2A1SLC2A3SLC2A4SLC2A2DHODH
SCHEMBL2623667 0.95 SLC2A1 (0.34) SLC2A1SLC2A3SLC2A4SLC2A2DHODH
SCHEMBL15963579 0.95 SLC2A1 (0.34) SLC2A1SLC2A3SLC2A4SLC2A2DHODH
SCHEMBL13085303 0.95 SLC2A1 (0.34) SLC2A1SLC2A3SLC2A4SLC2A2DHODH
SCHEMBL10083626 0.95 SLC2A1 (0.34) SLC2A1SLC2A3SLC2A4SLC2A2DHODH
SCHEMBL15488998 0.94 SLC2A1 (0.36) SLC2A1SLC2A3SLC2A4SLC2A2DHODH
SCHEMBL13085154 0.94 SLC2A1 (0.35) SLC2A1SLC2A3SLC2A4SLC2A2CACNA1H
SCHEMBL11928145 0.94 SLC2A1 (0.32) SLC2A1SLC2A3SLC2A4SLC2A2DHODH

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
EP-4208453-A1 PROCESS FOR PREPARING A TETRAZOLE-SUBSTITUTED ANTHRANILIC ACID DIAMIDE DERIVATIVE Bayer Aktiengesellschaft (DE) 2023-07-12 — — EP disclosed
WO-2022049186-A1 PROCESS FOR PREPARING A TETRAZOLE-SUBSTITUTED ANTHRANILIC ACID DIAMIDE DERIVATIVE BAYER AKTIENGESELLSCHAFT (DE) 2022-03-10 — — WO disclosed
Send feedback