SCHEMBL14103569

SCHEMBL14103569

Bc1cc([N+](=O)[O-])ccc1/N=C/c1c(OCC)ccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.58
▸ MEN1 O00255 5/20 0.58
▸ ALDH1A1 P00352 6/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ HPGD P15428 5/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ POLB P06746 3/20 0.43
▸ G6PD P11413 1/20 0.43
▸ LMNA P02545 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.42
▸ MITF O75030 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ TLR9 Q9NR96 1/20 0.42
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL12417059 0.88 KMT2A (0.58) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL12417062 0.83 KMT2A (0.67) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL12417065 0.82 KMT2A (0.58) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL12417068 0.81 MEN1 (0.56) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL12417025 0.75 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL12417037 0.75 KDM4E (0.57) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL12417054 0.74 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL12417046 0.73 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL12417030 0.73 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL12417031 0.72 KDM4E (0.57) KMT2AMEN1ALDH1A1KDM4EHPGD

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-2008094319-A2 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYTEM (US) 2008-08-07 — — WO disclosed
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