SCHEMBL10988804

SCHEMBL10988804

CN1CCSC1=NC(=O)Nc1ccccc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.54
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ POLB P06746 4/20 0.46
▸ TSHR P16473 1/20 0.46
▸ RAB9A P51151 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL10988801 1.00 GRM5 (0.54) GRM5KMT2AMEN1POLBTSHR
SCHEMBL10993528 0.87 GRM5 (0.58) GRM5KMT2AMEN1POLBTSHR
SCHEMBL10998692 0.83 GRM5 (0.59) GRM5LMNA
SCHEMBL10990477 0.83 GRM5 (0.54) GRM5KMT2AMEN1POLBTSHR
SCHEMBL10998992 0.80 GRM5 (0.51) GRM5KMT2AMEN1POLBTSHR
SCHEMBL10997257 0.80 GRM5 (0.55) GRM5KMT2AMEN1POLBTSHR
SCHEMBL10997260 0.80 GRM5 (0.55) GRM5KMT2AMEN1POLBTSHR
SCHEMBL11233767 0.78 GRM5 (0.73) GRM5POLBRAB9AALDH1A1MAPT
SCHEMBL11233774 0.78 GRM5 (0.73) GRM5POLBRAB9AALDH1A1MAPT
SCHEMBL10996662 0.78 GRM5 (0.59) GRM5KMT2AMEN1RAB9AALDH1A1

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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