SCHEMBL21760744

SCHEMBL21760744

O=C(O)c1cccc(-c2nc3ccccc3n2-c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.60
HDAC8 Q9BY41 3/20 0.60
HDAC6 Q9UBN7 3/20 0.60
ESR1 P03372 1/20 0.58
ESR2 Q92731 1/20 0.58
RECQL P46063 2/20 0.58
PTGER4 P35408 1/20 0.56
HSD17B10 Q99714 2/20 0.54
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 4/20 0.54
HPGD P15428 2/20 0.54
PKM P14618 1/20 0.51
TSHR P16473 1/20 0.51
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
MYC P01106 1/20 0.49
POLB P06746 1/20 0.49
HSPA1A P0DMV8 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL12135391 0.93 ESR1 (0.59) HDAC1HDAC8HDAC6ESR1ESR2
SCHEMBL13314056 0.85 ESR2 (0.67) HDAC1HDAC8HDAC6ESR1ESR2
SCHEMBL21760736 0.85 ESR1 (0.57) HDAC1HDAC8HDAC6ESR1ESR2
SCHEMBL21760739 0.85 ESR1 (0.62) HDAC1HDAC8HDAC6ESR1ESR2
SCHEMBL21760742 0.83 ESR1 (0.61) HDAC1HDAC8HDAC6ESR1ESR2
SCHEMBL1543181 0.83 ESR1 (0.57) HDAC1HDAC8HDAC6ESR1ESR2
SCHEMBL22522288 0.83 ESR1 (0.60) HDAC1HDAC8HDAC6ESR1ESR2
Bicarbonate SCHEMBL28889268 0.83 ESR1 (0.72) HDAC1HDAC8HDAC6ESR1ESR2
SCHEMBL19277874 0.83 ESR1 (0.63) HDAC1HDAC8HDAC6ESR1ESR2
SCHEMBL1808538 0.82 HDAC1 (0.57) HDAC1HDAC8HDAC6PTGER4HSD17B10

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