SCHEMBL1201692

SCHEMBL1201692

O=C(Nc1nc2c(C(=O)Nc3nc4c(s3)CN(Cc3ccccn3)CC4)cccc2[nH]1)c1cc2ccccc2cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.45
ALDH1A1 P00352 7/20 0.45
KDM4E B2RXH2 6/20 0.45
RAB9A P51151 6/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
KMT2A Q03164 6/20 0.45
MEN1 O00255 4/20 0.45
GAA P10253 7/20 0.41
NPC1 O15118 4/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 4/20 0.39
CYP2C9 P11712 3/20 0.39
CYP3A4 P08684 2/20 0.39
USP2 O75604 1/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
MAP3K5 Q99683 1/20 0.38
ROCK2 O75116 3/20 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
SCHEMBL1202226 0.90 MAPT (0.49) MAPTALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL1201967 0.89 MAPT (0.44) MAPTALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL2076565 0.89 ALDH1A1 (0.49) MAPTALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL1202350 0.89 MAPT (0.44) MAPTALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL1202485 0.89 MAPT (0.52) MAPTALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL1201675 0.89 GAA (0.44) MAPTALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL1202322 0.88 ALDH1A1 (0.44) MAPTALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL1202481 0.88 GAA (0.46) MAPTALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL2076326 0.88 MAPT (0.43) MAPTALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL1201959 0.88 MAPT (0.47) MAPTALDH1A1KDM4ERAB9ASMN1; SMN2

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-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed