SCHEMBL8599500

SCHEMBL8599500

O=C(Nc1cccc2c1nc(C(F)(F)F)n2CC(=O)N1CCOCC1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
CYP1A2 P05177 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
THRB P10828 1/20 0.43
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
DCTPP1 Q9H773 1/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
IRAK4 Q9NWZ3 3/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
P2RX1 P51575 1/20 0.39

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
SCHEMBL8601859 0.86 DCTPP1 (0.54) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL8602071 0.81 MAPT (0.46) ALDH1A1MAPTIRAK4GAASMN1; SMN2
SCHEMBL13990316 0.81 IRAK4 (0.49) ALDH1A1MAPTIRAK4GAASMN1; SMN2
SCHEMBL8602825 0.79 TSHR (0.52) ALDH1A1MAPTIRAK4
SCHEMBL8601368 0.78 MAPT (0.46) ALDH1A1MAPTIRAK4GAASMN1; SMN2
SCHEMBL8668207 0.78 IRAK4 (0.45) ALDH1A1MAPTIRAK4GAASMN1; SMN2
SCHEMBL8602363 0.78 PIK3C2B (0.52) ALDH1A1CYP1A2MAPTLMNAPOLB
SCHEMBL8565463 0.77 IRAK4 (0.48) IRAK4
SCHEMBL8602584 0.76 IRAK4 (0.44) MAPTIRAK4
SCHEMBL8596516 0.76 IRAK4 (0.49) IRAK4

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