SCHEMBL4865525

SCHEMBL4865525

O=[N+]([O-])c1cccc2c(-c3ccc(Br)cc3)ccnc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.57
KMT2A Q03164 10/20 0.57
ALDH1A1 P00352 9/20 0.57
TDP1 Q9NUW8 8/20 0.57
KDM4E B2RXH2 7/20 0.57
MAPT P10636 11/20 0.50
HTT P42858 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
MITF O75030 1/20 0.50
PDE10A Q9Y233 1/20 0.48
LMNA P02545 4/20 0.47
MAPK1 P28482 3/20 0.47
BLM P54132 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
NOS1 P29475 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL6558016 0.87 ALDH1A1 (0.61) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL22120364 0.80 ALDH1A1 (0.63) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL22120229 0.79 ALDH1A1 (0.67) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL29800698 0.79 ALDH1A1 (0.67) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL29800742 0.75 MAPT (0.57) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL26964207 0.75 MAPT (0.57) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL3357430 0.75 TOP2A (0.41) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4864029 0.75 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL7478482 0.74 ALDH1A1 (0.64) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL6537575 0.74 KDM4E (0.63) MEN1KMT2AALDH1A1TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7416791-B1 Osmium complexes and related organic light-emitting devices UNIVERSITY OF WASHINGTON (US) 2008-08-26 US disclosed
EP-1423691-A1 FLUORESCENCE BASED OXYGEN SENSOR SYSTEMS 3M Innovative Properties Company (US) 2004-06-02 EP disclosed
US-6664111-B2 The detector is a solid polymeric matrix, e.g., siloxane, modified by a luminescent platinum group metal phenanthroline chelate complex which is quenchable by oxygen; blood and tissue samples; medical diagnosis; compact; lightweight 3M INNOVATIVE PROPERTIES COMPANY 2003-12-16 US disclosed
US-20030099574-A1 Fluorescence based oxygen sensor systems 3M INNOVATIVE PROPERTIES COMPANY 2003-05-29 US disclosed
WO-2003019179-A1 FLUORESCENCE BASED OXYGEN SENSOR SYSTEMS 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-03-06 WO disclosed