SCHEMBL24628764

SCHEMBL24628764

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

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DEGS1 O15121 1/20 0.57
▸ PTPN1 P18031 4/20 0.54
▸ SNCA P37840 2/20 0.54
▸ NQO2 P16083 2/20 0.51
▸ NPC1 O15118 4/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ MAPT P10636 2/20 0.50
▸ TP53 P04637 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ XBP1 P17861 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ ESRRG P62508 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ MAOB P27338 1/20 0.45

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
SCHEMBL149098 0.85 MEN1 (0.63) PTPN1SNCANPC1RAB9AMAPT
SCHEMBL26815735 0.83 NPC1 (0.59) DEGS1PTPN1SNCANQO2NPC1
SCHEMBL24628629 0.82 SNCA (0.60) DEGS1PTPN1SNCANQO2NPC1
SCHEMBL20284045 0.79 DEGS1 (0.86) DEGS1PTPN1SNCANQO2NPC1
SCHEMBL15847328 0.79 NPC1 (0.64) NPC1RAB9AMAPTMAOB
SCHEMBL20284430 0.79 PTPN1 (0.86) DEGS1PTPN1SNCANPC1RAB9A
SCHEMBL12644762 0.77 NQO2 (0.68) DEGS1SNCANQO2NPC1RAB9A
SCHEMBL26815658 0.77 RAB9A (0.66) DEGS1PTPN1NQO2NPC1RAB9A
SCHEMBL123046 0.76 MEN1 (0.63) PTPN1SNCANPC1RAB9AMAPT
SCHEMBL23326911 0.75 KCNQ3 (0.63) DEGS1SNCANQO2NPC1RAB9A

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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