SCHEMBL47017

SCHEMBL47017

COc1ccc(Br)cc1Oc1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
TTR P02766 2/20 0.48
ABCB1 P08183 1/20 0.46
ABCC1 P33527 1/20 0.46
LMNA P02545 4/20 0.45
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
HTT P42858 3/20 0.45
POLB P06746 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43

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
SCHEMBL30193867 0.89 ALDH1A1 (0.56) ABCB1ABCC1LMNAALDH1A1SMN1; SMN2
SCHEMBL311157 0.89 ALDH1A1 (0.56) ABCB1ABCC1LMNAALDH1A1SMN1; SMN2
SCHEMBL29791349 0.82 ALDH1A1 (0.56) L3MBTL1ABCB1ABCC1LMNAALDH1A1
SCHEMBL309983 0.82 ALDH1A1 (0.56) L3MBTL1ABCB1ABCC1LMNAALDH1A1
SCHEMBL46705 0.81 TTR (0.47) L3MBTL1TTRABCB1ABCC1LMNA
SCHEMBL10363811 0.79 TTR (0.67) L3MBTL1TTRLMNAALDH1A1SMN1; SMN2
SCHEMBL205073 0.79 S100A4 (0.51) L3MBTL1ABCB1ABCC1LMNAALDH1A1
SCHEMBL23421733 0.78 ALDH1A1 (0.45) ABCB1ABCC1LMNAALDH1A1SMN1; SMN2
SCHEMBL1068743 0.76 SMN1; SMN2 (0.50) ABCB1ABCC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL1128860 0.76 HPSE (0.56) TTRLMNAALDH1A1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012003642-A1 FUSED TRICYCLIC COMPOUNDS AND USE THEREOF FOR TREATING VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2012-01-12 WO disclosed