SCHEMBL19943189

SCHEMBL19943189

O=Nc1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 10/20 0.70
▸ MEN1 O00255 9/20 0.70
▸ KMT2A Q03164 9/20 0.70
▸ KDM4E B2RXH2 8/20 0.70
▸ ABCB1 P08183 7/20 0.70
▸ CYP2D6 P10635 7/20 0.70
▸ CYP2C9 P11712 7/20 0.70
▸ FTO Q9C0B1 7/20 0.70
▸ MAPT P10636 7/20 0.70
▸ CYP1A2 P05177 7/20 0.70
▸ XDH P47989 6/20 0.70
▸ CYP1A1 P04798 6/20 0.70
▸ CYP1B1 Q16678 6/20 0.70
▸ ALOX15 P16050 6/20 0.70
▸ HSD17B10 Q99714 6/20 0.70
▸ POLH Q9Y253 5/20 0.70
▸ TP53 P04637 5/20 0.70
▸ BCHE P06276 5/20 0.70
▸ ACHE P22303 5/20 0.70
▸ CYP2C19 P33261 5/20 0.70

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
SCHEMBL22449722 0.89 POLH (0.71) CYP3A4MEN1KMT2AKDM4EABCB1
Kaempferol SCHEMBL18817 0.82 MEN1 (1.00) CYP3A4MEN1KMT2AKDM4EABCB1
Kaempferol SCHEMBL29378805 0.82 MEN1 (1.00) CYP3A4MEN1KMT2AKDM4EABCB1
SCHEMBL30684642 0.82 CYP3A4 (0.78) CYP3A4MEN1KMT2AKDM4EABCB1
Kaempferol SCHEMBL1259228 0.82 MEN1 (1.00) CYP3A4MEN1KMT2AKDM4EABCB1
SCHEMBL2565483 0.82 CYP3A4 (0.78) CYP3A4MEN1KMT2AKDM4EABCB1
Kaempferol SCHEMBL30655455 0.82 MEN1 (1.00) CYP3A4MEN1KMT2AKDM4EABCB1
Kaempferol SCHEMBL31749037 0.81 MEN1 (0.97) CYP3A4MEN1KMT2AKDM4EABCB1
Kaempferol SCHEMBL34461912 0.81 MEN1 (0.97) CYP3A4MEN1KMT2AKDM4EABCB1
Kaempferol SCHEMBL17237761 0.81 MEN1 (0.97) CYP3A4MEN1KMT2AKDM4EABCB1

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-3290044-A1 ANTIBACTERIAL COMPOSITION, COMPRISING A PLANT EXTRACT, METHOD FOR OBTAINING THE EXTRACT, PHARMACEUTICAL COMPOSITION AND USE SjF Hanse Scientific UG (DE) 2018-03-07 — — EP disclosed
WO-2017144671-A1 IMPROVED BIOLOGICAL PROCESSES FOR THE PRODUCTION OF ARYL SULFATES DANMARKS TEKNISKE UNIVERSITET (DK) 2017-08-31 — — WO disclosed
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