SCHEMBL24892240

SCHEMBL24892240

O=C(Nc1ccc(Br)cc1)c1ccc(C(=O)O)nc1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 17/20 0.75
KDM4E B2RXH2 2/20 0.65
ALDH1A1 P00352 2/20 0.65
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL30182474 0.92 RAB9A (0.71) P4HTMKDM4EALDH1A1NPC1RAB9A
SCHEMBL24892187 0.92 RAB9A (0.71) P4HTMKDM4EALDH1A1NPC1RAB9A
SCHEMBL24892307 0.89 P4HTM (0.62) P4HTMKDM4EALDH1A1NPC1RAB9A
SCHEMBL30182387 0.89 P4HTM (0.62) P4HTMKDM4EALDH1A1NPC1RAB9A
SCHEMBL9895324 0.86 P4HTM (1.00) P4HTMKDM4EALDH1A1NPC1RAB9A
SCHEMBL24892313 0.84 MAPK1 (0.60) P4HTMKDM4EALDH1A1NPC1RAB9A
SCHEMBL30182740 0.84 MAPK1 (0.60) P4HTMKDM4EALDH1A1NPC1RAB9A
SCHEMBL21646019 0.81 ALDH1A1 (0.78) P4HTMKDM4EALDH1A1NPC1RAB9A
SCHEMBL4727649 0.80 KCNQ3 (0.58) P4HTMKDM4EALDH1A1NPC1RAB9A
SCHEMBL24891951 0.79 MAPK1 (0.62) P4HTMKDM4EALDH1A1NPC1RAB9A

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
WO-2023287736-A1 NOVEL BIS-AMIDE CONTAINING COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2023-01-19 WO disclosed
WO-2023287736-A1 NOVEL BIS-AMIDE CONTAINING COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2023-01-19 WO disclosed