SCHEMBL5784706

SCHEMBL5784706

COc1ccc(C(=O)Cl)cc1[N+](=O)[O-].COc1ccc(C(=O)Nc2ccccn2)cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.62
▸ TDP1 Q9NUW8 2/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ TSHR P16473 1/20 0.62
▸ LMNA P02545 3/20 0.61
▸ POLB P06746 2/20 0.60
▸ KMT2A Q03164 5/20 0.60
▸ MAPT P10636 5/20 0.60
▸ MEN1 O00255 4/20 0.60
▸ RAB9A P51151 3/20 0.60
▸ HTT P42858 2/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ F2 P00734 1/20 0.53
▸ NPC1 O15118 2/20 0.52

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
SCHEMBL2749120 0.95 ALDH1A1 (0.69) ALDH1A1TDP1CYP3A4TSHRLMNA
SCHEMBL8306021 0.81 RAB9A (0.63) ALDH1A1LMNAPOLBKMT2AMAPT
SCHEMBL2747530 0.80 ALDH1A1 (0.60) ALDH1A1TDP1CYP3A4TSHRLMNA
SCHEMBL11223073 0.80 MEN1 (0.75) ALDH1A1TDP1CYP3A4TSHRLMNA
SCHEMBL15043007 0.78 MAPT (0.66) ALDH1A1TDP1CYP3A4TSHRLMNA
SCHEMBL19034437 0.77 ALDH1A1 (1.00) ALDH1A1TDP1CYP3A4TSHRLMNA
SCHEMBL11835490 0.77 NPC1 (0.57) ALDH1A1LMNAPOLBKMT2AMAPT
SCHEMBL13202288 0.76 F2 (0.64) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL5740018 0.76 TTR (0.61) ALDH1A1TDP1CYP3A4TSHRPOLB
SCHEMBL16996704 0.75 RAB9A (0.66) ALDH1A1TSHRKMT2AMEN1RAB9A

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-1713484-A2 COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-10-25 — — EP disclosed
WO-2005070891-A2 COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2005-08-04 — — WO disclosed
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