SCHEMBL1744130

SCHEMBL1744130

O=[N+]([O-])c1cccc2ccc3c(c12)OCO3

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.56
TXNRD3 Q86VQ6 1/20 0.56
TXNRD2 Q9NNW7 1/20 0.56
CDK2 P24941 2/20 0.44
MAPT P10636 6/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
MCL1 Q07820 1/20 0.41
KDM4E B2RXH2 3/20 0.40
TYMS P04818 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL2927803 0.81 ALDH1A1 (0.46) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL30379968 0.80 TXNRD1 (0.62) TXNRD1TXNRD3TXNRD2CDK2MAPT
SCHEMBL6257481 0.80 TXNRD1 (0.62) TXNRD1TXNRD3TXNRD2CDK2MAPT
SCHEMBL29626558 0.74 ALDH1A1 (0.61) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL187697 0.74 ALDH1A1 (0.61) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL29713706 0.72 JAK2 (0.40) TXNRD1TXNRD3TXNRD2CDK2MAPT
SCHEMBL8316191 0.72 ALDH1A1 (0.51) TXNRD1TXNRD3TXNRD2MAPTMEN1
SCHEMBL9668748 0.72 MEN1 (0.36) TXNRD1TXNRD3TXNRD2CDK2MAPT
SCHEMBL8403300 0.71 TXNRD1 (0.68) TXNRD1TXNRD3TXNRD2MAPTMEN1
SCHEMBL11032479 0.71 TXNRD1 (0.68) TXNRD1TXNRD3TXNRD2CDK2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387564-A1 BENZO ÝC¨PHENANTHRIDINES AS ANTIMICROBIAL AGENTS Rutgers, The State University of New Jersey (US) 2011-11-23 EP disclosed
US-8037884-B2 Modular system for patient positioning during medical procedures ALLEN MEDICAL SYSTEMS, INC. (US) 2011-10-18 US disclosed
WO-2010083436-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-07-22 WO disclosed