SCHEMBL8303938

SCHEMBL8303938

Nc1nc(=O)n(C(=O)c2ccccc2)cc1CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.40
RAB9A P51151 2/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AKR1C3 P42330 4/20 0.38
AKR1C2 P52895 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
DYRK1A Q13627 1/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AKR1B1 P15121 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
AKR1C4 P17516 1/20 0.36
PTGS1 P23219 1/20 0.36
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
CYP19A1 P11511 1/20 0.35

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
SCHEMBL5344718 0.78 RAB9A (0.41) RAB9ATSHRL3MBTL1KMT2AMEN1
SCHEMBL3627806 0.78 DCK (0.43) RAB9ATSHRL3MBTL1KMT2AMEN1
SCHEMBL8541156 0.78 PTGDR2 (0.40) RAB9AL3MBTL1KMT2AMEN1NPC1
SCHEMBL10348673 0.77 MAPK14 (0.44) RAB9ATSHRL3MBTL1AKR1C3KMT2A
SCHEMBL17371776 0.76 CYP1A2 (0.31) AKR1C3KMT2AMEN1KDM4EALDH1A1
SCHEMBL27622346 0.74 RAB9A (0.37) RAB9ATSHRL3MBTL1KMT2AMEN1
SCHEMBL27603628 0.73 PTGS2 (0.36) RAB9ATSHRL3MBTL1KMT2AMEN1
SCHEMBL210468 0.70 RAB9A (0.51) RAB9ATSHRL3MBTL1KMT2AMEN1
SCHEMBL5694141 0.69 DYRK1A (0.47) RAB9ATSHRL3MBTL1KMT2AMEN1
SCHEMBL7264255 0.68 RAB9A (0.41) RAB9ATSHRL3MBTL1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0646596-B1 Nucleic acid binding oligomers having C-branches for therapy and diagnosis BAYER AG (DE) 1999-05-26 EP disclosed
EP-0646595-B1 Nucleic acid binding oligomers having C-branches for therapy and diagnosis BAYER AG (DE) 1998-11-04 EP disclosed