SCHEMBL7702301

SCHEMBL7702301

COc1cc2nc3ccccc3c(C(=O)OC(c3ccccc3)(C(F)(F)F)C(F)(F)F)c2cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.41
NQO2 P16083 1/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
POLB P06746 2/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DHODH Q02127 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 3/20 0.38
RXFP1 Q9HBX9 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
WHR1 P49842 2/20 0.38
ABCG2 Q9UNQ0 2/20 0.38
PDPK1 O15530 1/20 0.38
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37
IGF1R P08069 2/20 0.37
NPC1 O15118 2/20 0.37

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
SCHEMBL7704087 0.82 PLA2G2A (0.43) POLBDHODHALDH1A1TDP1IGF1R
SCHEMBL7702282 0.80 ALOX15 (0.43) ALOX15NQO2MEN1KMT2APOLB
SCHEMBL7702486 0.78 ALOX15 (0.57) ALOX15NQO2MEN1KMT2APOLB
SCHEMBL7702922 0.74 PDE3B (0.41) NQO2MEN1KMT2APOLBSMN1; SMN2
Trifluoromethanesulfonic Acid SCHEMBL7703906 0.73 LMNA (0.34) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL38662579 0.73 MEN1 (0.48) MEN1KMT2APOLBTSHRSMN1; SMN2
SCHEMBL7703694 0.70 KDM4E (0.41) NQO2MEN1KMT2APOLBSMN1; SMN2
SCHEMBL7702925 0.70 ABHD6 (0.46) NQO2KMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL7698174 0.69 PDE3B (0.47) ALOX15NQO2MEN1KMT2APOLB
SCHEMBL7706778 0.68 PLA2G2A (0.46) POLBDHODHALDH1A1KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915851-B1 DIBENZODIHYDROPYRIDINECARBOXYLIC ESTERS AND THEIR USE IN CHEMILUMINESCENT ASSAY METHODS NEDERLANDEN STAAT (NL) 2002-03-20 EP disclosed
US-6030803-A FOR USE AS SUBSTRATE IN PEROXIDASE ASSAYS; ALPHA-CARBON ATOM OF THE ESTER ALKYL GROUP IS AN ALIPHATIC CARBON ATOM DE STAAT DER NEDERLANDEN, VERTEGENWOORDIGD DOOR DE MINISTER VAN WELZIJN, VOLKSGESZONHEID EN CULTUUR (NL) 2000-02-29 US disclosed