SCHEMBL4977900

SCHEMBL4977900

O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1Br

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.62
KMT2A Q03164 7/20 0.62
LMNA P02545 6/20 0.62
MAPT P10636 6/20 0.62
SMN1; SMN2 Q16637 6/20 0.62
HTT P42858 2/20 0.62
ALDH1A1 P00352 2/20 0.62
POLB P06746 1/20 0.62
RAB9A P51151 6/20 0.59
TP53 P04637 1/20 0.59
MCL1 Q07820 1/20 0.55
NPC1 O15118 4/20 0.54
MAPK1 P28482 1/20 0.52
HPGD P15428 1/20 0.51
MDM2 Q00987 1/20 0.51

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
SCHEMBL1455315 0.88 MAPT (0.77) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL2701432 0.86 LMNA (0.64) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL3924451 0.85 KMT2A (0.70) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL27731935 0.85 MEN1 (0.69) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL1454593 0.81 MEN1 (0.72) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL1454916 0.80 LMNA (0.60) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL1454500 0.79 MEN1 (0.63) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL1198183 0.79 LMNA (0.58) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL1454748 0.79 MAPT (0.63) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL7283173 0.78 MAPT (0.69) MEN1KMT2ALMNAMAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 WO disclosed