SCHEMBL22453338

SCHEMBL22453338

COC(=O)c1cccnc1Nc1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.59
NPC1 O15118 4/20 0.59
ALDH1A1 P00352 4/20 0.59
NPSR1 Q6W5P4 2/20 0.59
HTT P42858 2/20 0.59
MEN1 O00255 9/20 0.56
KMT2A Q03164 9/20 0.56
MAPT P10636 6/20 0.56
GAA P10253 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
AHR P35869 1/20 0.55
DHODH Q02127 5/20 0.54
MAPK1 P28482 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
PKM P14618 1/20 0.49
LMNA P02545 1/20 0.49
CNR2 P34972 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HPGD P15428 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL8027592 0.87 RAB9A (0.60) RAB9ANPC1ALDH1A1NPSR1HTT
SCHEMBL22445163 0.87 RAB9A (0.60) RAB9ANPC1ALDH1A1NPSR1HTT
SCHEMBL7272537 0.87 RAB9A (0.72) RAB9ANPC1ALDH1A1NPSR1HTT
SCHEMBL7281512 0.87 DHODH (0.71) RAB9ANPC1ALDH1A1NPSR1HTT
SCHEMBL9469649 0.86 MEN1 (0.72) RAB9ANPC1ALDH1A1NPSR1HTT
SCHEMBL15636015 0.86 DHODH (0.72) RAB9ANPC1ALDH1A1NPSR1HTT
SCHEMBL7278408 0.86 RAB9A (0.80) RAB9ANPC1ALDH1A1NPSR1HTT
SCHEMBL22452840 0.85 MEN1 (0.58) RAB9ANPC1ALDH1A1NPSR1HTT
SCHEMBL22453414 0.84 RAB9A (0.65) RAB9ANPC1ALDH1A1NPSR1HTT
SCHEMBL3807873 0.84 DHODH (0.77) RAB9ANPC1ALDH1A1NPSR1HTT

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