SCHEMBL9740451

SCHEMBL9740451

Nc1c(Br)cc(CNc2ccc3c[c][nH]c3c2)cc1Br

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 2/20 0.34
IGF1R P08069 2/20 0.34
MAPT P10636 8/20 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 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 4/20 0.32
HPGD P15428 1/20 0.32
DHFR P00374 2/20 0.32
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL9740778 0.78 ALOX5 (0.36)
SCHEMBL9739267 0.75 MAPT (0.33) MAPTLMNAGAAMEN1KMT2A
SCHEMBL9740058 0.74 MAPT (0.37) MAPTLMNAGAAMEN1KMT2A
SCHEMBL9740244 0.74 MAPT (0.58) MAPTLMNAGAAMEN1KMT2A
SCHEMBL9738964 0.66 KMT2A (0.53) MAPTLMNAGAAMEN1KMT2A
SCHEMBL9740472 0.64 GAA (0.59) MAPTLMNAGAAMEN1KMT2A
SCHEMBL207534 0.63 AHR (0.48) MAPTLMNAMEN1KMT2AHTT
SCHEMBL20481932 0.63 MEN1 (0.45) MAPTLMNAGAAMEN1KMT2A
SCHEMBL6354139 0.62 GAA (0.43) GAA
SCHEMBL22462465 0.60 ALDH1A1 (0.31) LMNAALDH1A1HPGD

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