SCHEMBL24628629

SCHEMBL24628629

O=C(Nc1ccc(O)c(F)c1)c1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 3/20 0.60
▸ DEGS1 O15121 1/20 0.60
▸ PTPN1 P18031 4/20 0.57
▸ NQO2 P16083 2/20 0.54
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ TOP1 P11387 2/20 0.50
▸ STING1 Q86WV6 1/20 0.49
▸ KDM6B O15054 1/20 0.48
▸ KDM5A P29375 1/20 0.48
▸ KDM4D Q6B0I6 1/20 0.48
▸ KDM4C Q9H3R0 1/20 0.48
▸ KDM5B Q9UGL1 1/20 0.48
▸ KDM2A Q9Y2K7 1/20 0.48
▸ KDM3A Q9Y4C1 1/20 0.48
▸ ESRRG P62508 1/20 0.48
▸ MEN1 O00255 2/20 0.47

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
SCHEMBL24628764 0.82 DEGS1 (0.57) SNCADEGS1PTPN1NQO2NPC1
SCHEMBL24628415 0.82 DEGS1 (0.60) SNCADEGS1PTPN1NQO2NPC1
SCHEMBL20284045 0.82 DEGS1 (0.86) SNCADEGS1PTPN1NQO2NPC1
SCHEMBL20284430 0.81 PTPN1 (0.86) SNCADEGS1PTPN1NPC1RAB9A
SCHEMBL8769844 0.77 DEGS1 (0.77) SNCADEGS1PTPN1NQO2NPC1
SCHEMBL24628731 0.76 NPC1 (0.71) DEGS1PTPN1NQO2NPC1RAB9A
SCHEMBL8420639 0.76 DEGS1 (0.75) SNCADEGS1PTPN1NQO2NPC1
SCHEMBL900928 0.76 DEGS1 (0.75) SNCADEGS1PTPN1NQO2NPC1
SCHEMBL899585 0.76 DEGS1 (0.75) SNCADEGS1PTPN1NQO2NPC1
SCHEMBL9342931 0.76 DEGS1 (0.81) SNCADEGS1PTPN1NQO2RAB9A

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-4276092-A1 COMPOUND LIBRARY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-15 — — EP disclosed
WO-2022149617-A1 COMPOUND LIBRARY 中外製薬株式会社 2022-07-14 — — WO disclosed
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