SCHEMBL24892187

SCHEMBL24892187

O=C(Nc1ccc(Br)cc1)c1ccc(C(=O)Nc2ccc(Br)cc2)nc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.71
ALDH1A1 P00352 3/20 0.71
NPC1 O15118 2/20 0.71
KDM4E B2RXH2 1/20 0.71
P4HTM Q9NXG6 9/20 0.66
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
POLB P06746 1/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
PRKAA2 P54646 1/20 0.54
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53

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 1.00 RAB9A (0.71) RAB9AALDH1A1NPC1KDM4EP4HTM
SCHEMBL24892240 0.92 P4HTM (0.75) RAB9AALDH1A1NPC1KDM4EP4HTM
SCHEMBL30182387 0.90 P4HTM (0.62) RAB9AALDH1A1NPC1KDM4EP4HTM
SCHEMBL24892307 0.90 P4HTM (0.62) RAB9AALDH1A1NPC1KDM4EP4HTM
SCHEMBL24892313 0.88 MAPK1 (0.60) RAB9AALDH1A1NPC1KDM4EP4HTM
SCHEMBL30182740 0.88 MAPK1 (0.60) RAB9AALDH1A1NPC1KDM4EP4HTM
SCHEMBL24891951 0.86 MAPK1 (0.62) RAB9AALDH1A1NPC1KDM4EP4HTM
SCHEMBL30182827 0.86 MAPK1 (0.62) RAB9AALDH1A1NPC1KDM4EP4HTM
SCHEMBL21646019 0.85 ALDH1A1 (0.78) RAB9AALDH1A1NPC1KDM4EP4HTM
SCHEMBL24891794 0.84 ALDH1A1 (0.52) RAB9AALDH1A1NPC1KDM4EP4HTM

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 1 patent. 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