SCHEMBL9740728

SCHEMBL9740728

Nc1c(Cl)cc(CNc2ccc3[nH]c[c]c3c2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
GAA P10253 3/20 0.36
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HAO1 Q9UJM8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
BCHE P06276 2/20 0.32
ACHE P22303 2/20 0.32
FFAR1 O14842 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL9740058 0.77 MAPT (0.37) MAPTGAALMNAHTTMEN1
SCHEMBL9739267 0.75 MAPT (0.33) MAPTGAALMNAHTTMEN1
SCHEMBL9739461 0.74 MAPT (0.58) MAPTGAALMNAHTTMEN1
SCHEMBL6017271 0.66 AR (0.32)
SCHEMBL207490 0.65 AHR (0.42) MAPTGAALMNAMEN1KMT2A
SCHEMBL2971945 0.65 KDM4E (0.35) MAPTGAAHTTMEN1KMT2A
SCHEMBL11156948 0.61
SCHEMBL1923230 0.61 HTR1D (0.39) MAPTLMNAALDH1A1L3MBTL1
SCHEMBL3246891 0.60 MAPT (0.53) MAPTGAALMNAHTTMEN1
SCHEMBL3250946 0.60 MAPT (0.41) MAPTMEN1KMT2AFFAR1L3MBTL1

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