SCHEMBL10994676

SCHEMBL10994676

CCN1CCSC1=NC(=O)Nc1c(OC)cccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.38
▸ LMNA P02545 4/20 0.38
▸ MAPK1 P28482 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ GFER P55789 1/20 0.38
▸ GRM5 P41594 1/20 0.37
▸ HTT P42858 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PKM P14618 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 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
SCHEMBL10994318 0.91 GRM5 (0.42) LMNAALDH1A1GRM5POLBKDM4E
SCHEMBL10994147 0.90 ALDH1A1 (0.43) LMNAMAPK1ALDH1A1GFERGRM5
SCHEMBL11000472 0.87 GRM5 (0.39) ATMLMNAALDH1A1GRM5POLB
SCHEMBL10998992 0.87 GRM5 (0.51) ATMLMNAMAPK1ALDH1A1GRM5
SCHEMBL10992667 0.87 GRM5 (0.43) GRM5POLBTP53P2RX7L3MBTL1
SCHEMBL10992675 0.86 DRD4 (0.41) ATMLMNAMAPK1ALDH1A1GFER
SCHEMBL11148636 0.82 CYP1A2 (0.40) ATMLMNAALDH1A1HTTMEN1
SCHEMBL10998809 0.78 GRM5 (0.45) ATMLMNAMAPK1ALDH1A1GRM5
SCHEMBL10994616 0.77 GRM5 (0.49) LMNAMAPK1ALDH1A1GRM5POLB
SCHEMBL10993280 0.77 GRM5 (0.44) LMNAMAPK1ALDH1A1GRM5POLB

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 disclosed
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