SCHEMBL8622916

SCHEMBL8622916

O=C(CNc1cccc2ccccc12)NC(=O)c1cccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 13/20 0.49
KMT2A Q03164 13/20 0.49
MAPT P10636 6/20 0.49
ALDH1A1 P00352 5/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
MITF O75030 1/20 0.47
NOD2 Q9HC29 1/20 0.47
KDM4E B2RXH2 4/20 0.46
GAA P10253 2/20 0.45
ALOX5 P09917 1/20 0.45
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
CTSD P07339 1/20 0.41
RORC P51449 1/20 0.41

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
SCHEMBL8624805 0.82 CTSD (0.46) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL8621506 0.81 MEN1 (0.46) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL27770288 0.74 PARP1 (0.44) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL6900995 0.73 CYP1A2 (0.63) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL7697 0.72 MEN1 (0.43) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL782110 0.71 CTSD (0.73) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL27600331 0.69 CTSD (0.49) MEN1KMT2AALDH1A1L3MBTL1CTSD
SCHEMBL4468688 0.69 CTSD (0.64) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL1653792 0.69 GPR35 (0.49) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL7820965 0.68 POLB (0.65) MEN1KMT2AMAPTALDH1A1KDM4E

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-5786428-A POLYMER MATRIX OF UNSATURATED MONOMER AND METAL COMPLEX HAVING A LIGAND AND A POLYMERIZABLE UNSATURATED MOIETY; EFFICIENT, RAPID AND SIMPLE PURIFICATION; MEDICAL DIAGNOSIS; CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-07-28 US disclosed