SCHEMBL9739267

SCHEMBL9739267

Nc1c(Br)cc(CNc2ccc3[c]c[nH]c3c2)cc1Br

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.33
LMNA P02545 5/20 0.33
GAA P10253 5/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
HTT P42858 2/20 0.33
THRB P10828 2/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 3/20 0.31
HPGD P15428 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL9740797 0.79 MAOB (0.33) MAPT
SCHEMBL9740728 0.75 MAPT (0.36) MAPTLMNAGAAMEN1KMT2A
SCHEMBL9740451 0.75 INSR (0.34) MAPTLMNAGAAMEN1KMT2A
SCHEMBL9739461 0.65 MAPT (0.58) MAPTLMNAGAAMEN1KMT2A
SCHEMBL6347092 0.65 GAA (0.43) GAA
SCHEMBL207535 0.64 AHR (0.42) ALDH1A1
SCHEMBL27683708 0.64 PRKCI (0.39) MAPTGAAMEN1KMT2AHTT
SCHEMBL17423817 0.60
SCHEMBL4851597 0.60
SCHEMBL28502135 0.58 CNR1 (0.39) MAPTRAB9A

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
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed