SCHEMBL4864029

SCHEMBL4864029

Nc1cccc2c(-c3ccc(Br)cc3)ccnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
APAF1 O14727 1/20 0.46
TDP2 O95551 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
NR4A2 P43354 1/20 0.40
EGFR P00533 1/20 0.40
PARP1 P09874 1/20 0.38
CDK2 P24941 2/20 0.38
CCNA2 P20248 1/20 0.38
AURKA O14965 2/20 0.38
AURKB Q96GD4 2/20 0.38
PLK4 O00444 1/20 0.38
JAK2 O60674 1/20 0.38
LCK P06239 1/20 0.38

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
SCHEMBL6556762 0.85 PLG (0.46) MEN1KMT2AAPAF1TDP2ALDH1A1
SCHEMBL3357430 0.81 TOP2A (0.41) MEN1KMT2AALDH1A1MAPTCDK2
SCHEMBL29284768 0.78 ALDH1A1 (0.48) ALDH1A1CDK2CCNA2AURKAAURKB
SCHEMBL30964092 0.78 ALDH1A1 (0.48) ALDH1A1CDK2CCNA2AURKAAURKB
SCHEMBL22120459 0.76 NR4A2 (0.46) MEN1KMT2AAPAF1TDP2ALDH1A1
SCHEMBL21852023 0.75 MEN1 (0.70) MEN1KMT2AAPAF1TDP2ALDH1A1
SCHEMBL4865525 0.75 MEN1 (0.57) MEN1KMT2AALDH1A1MAPTCASP6
SCHEMBL30964093 0.74 CCR1 (0.54) MEN1KMT2AALDH1A1MAPTCOMT
SCHEMBL18388935 0.74 CCR1 (0.54) MEN1KMT2AALDH1A1MAPTCOMT
SCHEMBL6629560 0.73 NR4A2 (0.68) MEN1KMT2AAPAF1TDP2ALDH1A1

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