SCHEMBL21760739

SCHEMBL21760739

O=C(O)c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.62
ESR2 Q92731 1/20 0.62
RECQL P46063 1/20 0.62
GRIA1 P42261 1/20 0.57
CACNG8 Q8WXS5 1/20 0.57
CACNG2 Q9Y698 1/20 0.57
PTGER4 P35408 1/20 0.57
SIRT2 Q8IXJ6 2/20 0.55
SIRT1 Q96EB6 2/20 0.55
HSD17B10 Q99714 2/20 0.55
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
MAPK1 P28482 2/20 0.51
HTT P42858 1/20 0.51
PTGS2 P35354 1/20 0.51
PIN1 Q13526 7/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51

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
SCHEMBL21760742 0.99 ESR1 (0.61) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL23874011 0.97 ESR1 (0.67) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL7061814 0.92 ESR2 (0.77) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL27154654 0.91 ESR1 (0.59) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL21760736 0.89 ESR1 (0.57) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL17343543 0.89 ESR1 (0.59) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL804992 0.87 ESR2 (0.73) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL6439260 0.87 CNR2 (0.63) ESR1ESR2GRIA1CACNG8CACNG2
Bicarbonate SCHEMBL28889268 0.86 ESR1 (0.72) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL10041513 0.86 ESR2 (0.71) ESR1ESR2RECQLGRIA1CACNG8

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
US-11637256-B2 Quantum dots with charge-transporting ligands NANOSYS, INC. (US) 2023-04-25 US disclosed
WO-2020040982-A1 QUANTUM DOTS WITH CHARGE-TRANSPORTING LIGANDS NANOSYS, INC. (US) 2020-02-27 WO disclosed
US-20200067006-A1 QUANTUM DOTS WITH CHARGE-TRANSPORTING LIGANDS NANOSYS, INC. (US) 2020-02-27 US disclosed