SCHEMBL22100714

SCHEMBL22100714

CNc1ccc(Sc2cc(C)cc(Sc3ccc(C)cc3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
HPGD P15428 2/20 0.43
ATM Q13315 1/20 0.43
PTGIR P43119 1/20 0.41
MAPT P10636 7/20 0.40
ALDH1A1 P00352 4/20 0.40
RAPGEF4 Q8WZA2 1/20 0.38
MLYCD O95822 1/20 0.37
MCL1 Q07820 2/20 0.37
BCL2 P10415 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP2C19 P33261 1/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL19681865 0.90 MAPT (0.47) L3MBTL1HPGDATMPTGIRMAPT
SCHEMBL19265598 0.81 MLYCD (0.45) L3MBTL1HPGDATMPTGIRMAPT
SCHEMBL11507985 0.81 ALDH1A1 (0.54) L3MBTL1HPGDPTGIRMAPTALDH1A1
SCHEMBL19540473 0.81 MLYCD (0.48) L3MBTL1HPGDATMPTGIRMAPT
SCHEMBL23373142 0.78 MLYCD (0.40) L3MBTL1HPGDATMMAPTALDH1A1
SCHEMBL44533 0.76
SCHEMBL19681866 0.76 L3MBTL1 (0.42) L3MBTL1HPGDATMPTGIRMAPT
SCHEMBL15933122 0.75 PTGIR (0.43) L3MBTL1HPGDATMPTGIRMAPT
Hydrochloric Acid SCHEMBL2866389 0.73 MAPT (0.50) HPGDMAPTALDH1A1RAPGEF4MEN1
SCHEMBL12245875 0.73 ACHE (0.57) L3MBTL1HPGDPTGIRMAPTALDH1A1

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
EP-3228613-B1 HALOGENATED COMPOUND, POLYMER COMPRISING SAME, AND POLYMER ELECTROLYTE MEMBRANE COMPRISING SAME LG CHEMICAL LTD (KR) 2020-06-17 EP disclosed