SCHEMBL8236014

SCHEMBL8236014

CCNCC(=O)Nc1nc(-c2ccccc2)cn1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SOAT2 O75908 2/20 0.43
SOAT1 P35610 2/20 0.43
ADORA1 P30542 3/20 0.42
ADORA3 P0DMS8 3/20 0.42
ADORA2A P29274 2/20 0.42
ADORA2B P29275 2/20 0.42
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
THRB P10828 1/20 0.40

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
SCHEMBL5338305 0.85 MAPT (0.48) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL5320148 0.83 ALDH1A1 (0.54) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL8235496 0.82 MAPT (0.47) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL5334907 0.79 GSK3B (0.43) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL8227750 0.78 MAPT (0.46) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL28428243 0.78 ADORA3 (0.56) MAPTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL8236528 0.76 CXCR3 (0.41) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL8233961 0.76 ALDH1A1 (0.56) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL8038965 0.75 TMIGD3 (0.50) MAPTSMN1; SMN2MEN1NPC1RAB9A
SCHEMBL8228005 0.74 TSHR (0.44) MAPTALDH1A1SMN1; SMN2LMNAMEN1

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