SCHEMBL8235496

SCHEMBL8235496

O=C(CNC1CC1)Nc1nc(-c2ccccc2)cn1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
MGLL Q99685 1/20 0.41
GAA P10253 4/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
XBP1 P17861 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL8236014 0.82 MAPT (0.50) MAPTGAAALDH1A1SMN1; SMN2LMNA
SCHEMBL5320148 0.80 ALDH1A1 (0.54) MAPTGAAALDH1A1SMN1; SMN2LMNA
SCHEMBL5338305 0.80 MAPT (0.48) MAPTGAAALDH1A1SMN1; SMN2LMNA
SCHEMBL28428243 0.75 ADORA3 (0.56) MAPTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL5334907 0.74 GSK3B (0.43) MAPTGAAALDH1A1SMN1; SMN2LMNA
SCHEMBL8227750 0.73 MAPT (0.46) MAPTGAAALDH1A1SMN1; SMN2LMNA
SCHEMBL8233961 0.73 ALDH1A1 (0.56) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL8038965 0.73 TMIGD3 (0.50) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL28428248 0.72 MEN1 (0.51) MAPTGAASMN1; SMN2LMNAMEN1
SCHEMBL8236528 0.71 CXCR3 (0.41) MAPTGAAALDH1A1SMN1; SMN2LMNA

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
WO-2007082666-A1 ACYLAMINOIMIDAZOLES BAYER HEALTHCARE AG (DE) 2007-07-26 WO disclosed