SCHEMBL7658609

SCHEMBL7658609

COC(=O)c1cc([N+](=O)[O-])ccc1Cc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
LMNA P02545 3/20 0.45
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP19A1 P11511 2/20 0.43
MAPT P10636 5/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90B1 P14625 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL2527342 0.81 ALDH1A1 (0.57) ALDH1A1LMNAPOLBL3MBTL1NPC1
SCHEMBL7567992 0.80 MAPT (0.47) ALDH1A1LMNASMN1; SMN2MAPTGAA
SCHEMBL25544228 0.80 HSP90AA1 (0.45) ALDH1A1LMNAL3MBTL1NPC1RAB9A
SCHEMBL7562813 0.80 MEN1 (0.50) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL6697965 0.80 ALDH1A1 (0.53) ALDH1A1LMNAPOLBNPC1SMN1; SMN2
SCHEMBL7661739 0.79 MAPT (0.49) ALDH1A1SMN1; SMN2MAPTGAAKDM4E
SCHEMBL7569696 0.79 MAPT (0.46) ALDH1A1SMN1; SMN2MAPTGAAKDM4E
SCHEMBL7658063 0.79 MAPT (0.49) ALDH1A1L3MBTL1SMN1; SMN2MAPTGAA
SCHEMBL13240461 0.79 RAB9A (0.50) ALDH1A1LMNAPOLBNPC1RAB9A
SCHEMBL13280233 0.79 ALDH1A1 (0.52) ALDH1A1LMNAPOLBNPC1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410539-B1 ANTICARCINOGENIC AGENTS ASTRAZENCA UK LIMITED (GB) 2002-06-25 US disclosed
EP-1025089-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS ZENECA LIMITED (GB) 2000-08-09 EP disclosed
WO-1999020612-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS ASTRAZENECA UK LIMITED (GB) 1999-04-29 WO disclosed