SCHEMBL22452840

SCHEMBL22452840

COC(=O)c1cccnc1Nc1cccc(Br)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.58
KMT2A Q03164 9/20 0.58
PKM P14618 2/20 0.58
HTT P42858 2/20 0.58
MAPK1 P28482 2/20 0.58
MAPT P10636 6/20 0.54
LMNA P02545 4/20 0.51
TNF P01375 1/20 0.51
DHODH Q02127 2/20 0.50
ALDH1A1 P00352 5/20 0.49
POLB P06746 2/20 0.49
AURKA O14965 1/20 0.49
RPS6KB1 P23443 1/20 0.49
RAB9A P51151 4/20 0.49
EGFR P00533 3/20 0.49
NPC1 O15118 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
GMNN O75496 1/20 0.49
TTR P02766 1/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL7272758 0.85 KMT2A (0.60) MEN1KMT2APKMHTTMAPK1
SCHEMBL6332639 0.85 MEN1 (0.60) MEN1KMT2APKMHTTMAPK1
SCHEMBL7440301 0.85 MEN1 (0.60) MEN1KMT2APKMHTTMAPK1
SCHEMBL22453338 0.85 RAB9A (0.59) MEN1KMT2APKMHTTMAPK1
SCHEMBL7271426 0.84 MEN1 (0.58) MEN1KMT2APKMHTTMAPK1
SCHEMBL7281318 0.84 MEN1 (0.81) MEN1KMT2APKMHTTMAPK1
SCHEMBL2410062 0.84 LMNA (0.72) MEN1KMT2APKMHTTMAPK1
SCHEMBL28949487 0.84 LMNA (0.71) MEN1KMT2APKMHTTMAPK1
SCHEMBL29898238 0.84 LMNA (0.71) MEN1KMT2APKMHTTMAPK1
SCHEMBL7281512 0.83 DHODH (0.71) MEN1KMT2APKMHTTMAPK1

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-2020190774-A1 NOVEL SMALL MOLECULE INHIBITORS OF TEAD TRANSCRIPTION FACTORS THE GENERAL HOSPITAL CORPORATION (US) 2020-09-24 WO disclosed