SCHEMBL8601368

SCHEMBL8601368

Cc1cccc(C)c1NC(=O)c1cccc2c1nc(C(F)(F)F)n2CC(=O)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
PIK3C2B O00750 3/20 0.41
KDM4E B2RXH2 1/20 0.41
IRAK4 Q9NWZ3 3/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
TRPV4 Q9HBA0 1/20 0.41
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 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
SCHEMBL8600301 0.94 PIK3C2B (0.46) MAPTSMN1; SMN2TP53PIK3C2BKDM4E
SCHEMBL8598135 0.93 IRAK4 (0.44) MAPTSMN1; SMN2IRAK4TSHRGAA
SCHEMBL8668207 0.89 IRAK4 (0.45) MAPTSMN1; SMN2TP53PIK3C2BKDM4E
SCHEMBL8602071 0.84 MAPT (0.46) MAPTSMN1; SMN2TP53KDM4EIRAK4
SCHEMBL8602363 0.84 PIK3C2B (0.52) MAPTSMN1; SMN2TP53PIK3C2BKDM4E
SCHEMBL8595628 0.79 MAPT (0.52) MAPTSMN1; SMN2TP53PIK3C2BKDM4E
SCHEMBL8599500 0.78 ALDH1A1 (0.51) MAPTSMN1; SMN2IRAK4ALDH1A1GAA
SCHEMBL13990316 0.77 IRAK4 (0.49) MAPTSMN1; SMN2PIK3C2BIRAK4ALDH1A1
SCHEMBL8602825 0.77 TSHR (0.52) MAPTIRAK4TSHRALDH1A1
SCHEMBL8601859 0.76 DCTPP1 (0.54) MAPTSMN1; SMN2TP53PIK3C2BKDM4E

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-0863881-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-16 EP disclosed
WO-1997010219-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-20 WO disclosed