SCHEMBL13812799

SCHEMBL13812799

O=C(Nc1cccc(OCCc2ccccc2)c1)c1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 1/20 0.50
▸ KMT2A Q03164 5/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ SIRT2 Q8IXJ6 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ P2RX1 P51575 2/20 0.47
▸ ABCG2 Q9UNQ0 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ KDM1A O60341 1/20 0.46
▸ RCOR1 Q9UKL0 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46

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
SCHEMBL13812670 0.89 NR1H4 (0.48) NR1H4KMT2AMEN1SIRT2NPC1
SCHEMBL13812798 0.86 G6PD (0.48) KMT2AMEN1RAB9AP2RX1MAPT
SCHEMBL3863657 0.85 P2RX1 (0.62) NR1H4KMT2AMEN1SIRT2NPC1
SCHEMBL13812764 0.82 LRRK2 (0.55) NR1H4KMT2AMEN1SIRT2MAPT
SCHEMBL13812584 0.81 MEN1 (0.53) NR1H4KMT2AMEN1SIRT2NPC1
SCHEMBL27782904 0.81 KDM1A (0.64) KMT2AMEN1P2RX1MAPTKDM1A
SCHEMBL13812642 0.80 P2RX1 (0.61) NR1H4KMT2AMEN1SIRT2NPC1
SCHEMBL13812550 0.79 SIRT2 (0.52) NR1H4KMT2AMEN1SIRT2NPC1
SCHEMBL13812562 0.79 TMPRSS4 (0.62) NR1H4KMT2AMEN1SIRT2NPC1
SCHEMBL13812552 0.78 SIRT2 (0.52) NR1H4KMT2AMEN1SIRT2NPC1

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
US-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 — — US disclosed
Send feedback