SCHEMBL8554126

SCHEMBL8554126

CCCCCCc1ccc2nc(C3CCC(CCCCC)CC3)sc2c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
SPHK1 Q9NYA1 3/20 0.39
CASP3 P42574 9/20 0.39
SENP8 Q96LD8 9/20 0.39
SENP7 Q9BQF6 9/20 0.39
SENP6 Q9GZR1 9/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2D6 P10635 1/20 0.39
S1PR3 Q99500 1/20 0.39
PCSK9 Q8NBP7 1/20 0.38
TLR8 Q9NR97 2/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 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
SCHEMBL8554123 1.00 MAPT (0.41) MAPTGAASPHK1CASP3SENP8
SCHEMBL8554722 0.84 SPHK1 (0.46) MAPTGAASPHK1
SCHEMBL8554717 0.84 SPHK1 (0.46) MAPTGAASPHK1
SCHEMBL9263168 0.84 NPC1 (0.42) MAPTGAAMEN1KMT2A
SCHEMBL9263161 0.84 NPC1 (0.42) MAPTGAAMEN1KMT2A
SCHEMBL5946928 0.75 CASP3 (0.46) MAPTGAACASP3SENP8SENP7
SCHEMBL9333828 0.74 RAB9A (0.52) MAPTGAASPHK1MEN1KMT2A
SCHEMBL2443034 0.73 CASP3 (0.51) CASP3SENP8SENP7SENP6PCSK9
SCHEMBL22926235 0.73 SMN1; SMN2 (0.49) MAPTCASP3SENP8SENP7SENP6
SCHEMBL11138484 0.73 SPHK1 (0.53) MAPTGAASPHK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0440061-B1 Mesomorphic compound, liquid crystal composition containing same, liquid crystal device using same and display apparatus CANON KK (JP) 1998-04-01 EP disclosed
US-5284599-A Benzothiazole with alkyl group having asymmetric carbon connected to halogen; improved response CANON KABUSHIKI KAISHA (JP) 1994-02-08 US disclosed
US-5236619-A Benzothiazoles CANON KABUSHIKI KAISHA (JP) 1993-08-17 US disclosed
EP-0440061-A1 Mesomorphic compound, liquid crystal composition containing same, liquid crystal device using same and display apparatus CANON KABUSHIKI KAISHA (JP) 1991-08-07 EP disclosed