SCHEMBL10993445

SCHEMBL10993445

CCN1CCSC1=NC(=O)Nc1c(F)cccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.45
▸ GAA P10253 2/20 0.38
▸ DGAT1 O75907 2/20 0.37
▸ MAPT P10636 3/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ CXCR2 P25025 1/20 0.34
▸ NLRP3 Q96P20 2/20 0.34
▸ KMT2A Q03164 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
SCHEMBL10994616 0.92 GRM5 (0.49) GRM5GAAMAPTKDM4EPOLB
SCHEMBL10994165 0.88 GRM5 (0.46) GRM5GAAPOLBNLRP3
SCHEMBL10992667 0.87 GRM5 (0.43) GRM5TDP1POLB
SCHEMBL10992614 0.85 GRM5 (0.61) GRM5GAADGAT1MAPTKDM4E
SCHEMBL10998809 0.82 GRM5 (0.45) GRM5GAAMAPTTDP1KDM4E
SCHEMBL10993280 0.81 GRM5 (0.44) GRM5GAAMAPTKDM4EPOLB
SCHEMBL10994318 0.80 GRM5 (0.42) GRM5GAAMAPTKDM4EPOLB
SCHEMBL11148694 0.80 L3MBTL1 (0.54) GRM5MAPTALDH1A1KMT2A
SCHEMBL10994147 0.79 ALDH1A1 (0.43) GRM5GAAMAPTKDM4EALDH1A1
SCHEMBL10998555 0.78 NLRP3 (0.44) GRM5MAPTTDP1POLBALDH1A1

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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