SCHEMBL21765832

SCHEMBL21765832

O=C(O)c1ccc(-n2c3ccccc3c3ccccc32)cc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
KDM4E B2RXH2 2/20 0.52
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
EDNRB P24530 1/20 0.45
EDNRA P25101 1/20 0.45
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
FABP5 Q01469 1/20 0.44
MYC P01106 5/20 0.44
ALOX15 P16050 1/20 0.43
CDC25A P30304 1/20 0.43
CDC25B P30305 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.43
PTPN1 P18031 2/20 0.43
CTSB P07858 2/20 0.42
KLKB1 P03952 1/20 0.42
ELANE P08246 1/20 0.42
MMP9 P14780 1/20 0.42

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
SCHEMBL19680952 0.80 ALDH1A1 (0.73) ALDH1A1KDM4EATML3MBTL1FABP3
SCHEMBL21760733 0.77 FOLH1 (0.62) ALDH1A1KDM4EATML3MBTL1MYC
SCHEMBL30295439 0.77 L3MBTL1 (0.66) ALDH1A1KDM4EATML3MBTL1POLB
SCHEMBL11330837 0.77 L3MBTL1 (0.66) ALDH1A1KDM4EATML3MBTL1POLB
SCHEMBL29573519 0.77 ALDH1A1 (1.00) ALDH1A1KDM4EATML3MBTL1FABP3
SCHEMBL14657482 0.77 ALDH1A1 (0.73) ALDH1A1KDM4EATML3MBTL1FABP3
SCHEMBL15714492 0.77 ALDH1A1 (1.00) ALDH1A1KDM4EATML3MBTL1FABP3
SCHEMBL986793 0.77 KDM4E (0.57) ALDH1A1KDM4EATML3MBTL1MYC
SCHEMBL30175514 0.77 ALDH1A1 (1.00) ALDH1A1KDM4EATML3MBTL1FABP3
SCHEMBL23259754 0.76 KDM4E (0.56) ALDH1A1KDM4EATML3MBTL1FABP3

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