SCHEMBL10996903

SCHEMBL10996903

CN1CCS/C1=N/C(=O)Nc1c(F)cccc1F

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.61
▸ MAPT P10636 5/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ NLRP3 Q96P20 1/20 0.36
▸ NOX1 Q9Y5S8 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ PDE4B Q07343 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 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
SCHEMBL10996908 1.00 GRM5 (0.61) GRM5MAPTRAB9ATP53GAA
SCHEMBL10992614 0.92 GRM5 (0.61) GRM5MAPTRAB9ATP53GAA
SCHEMBL10993126 0.85 GRM5 (0.62) GRM5MAPTRAB9AGAAKDM4E
SCHEMBL10993124 0.85 GRM5 (0.62) GRM5MAPTRAB9AGAAKDM4E
SCHEMBL10989729 0.84 GRM5 (0.61) GRM5MAPTRAB9AKDM4EKMT2A
SCHEMBL10989727 0.84 GRM5 (0.61) GRM5MAPTRAB9AKDM4EKMT2A
SCHEMBL10989017 0.84 GRM5 (0.68) GRM5MAPTRAB9AGAAKDM4E
SCHEMBL10989034 0.84 GRM5 (0.68) GRM5MAPTRAB9AGAAKDM4E
SCHEMBL10993528 0.84 GRM5 (0.58) GRM5MAPTRAB9ATP53KDM4E
SCHEMBL10995246 0.83 GRM5 (0.60) GRM5RAB9AKDM4EKMT2ANLRP3

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
US-4542144-A EPILEPSY MCNEILAB INC. (US) 1985-09-17 — — US claimed
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