SCHEMBL1855064

SCHEMBL1855064

CC(C)(C)C(NC(=O)O)c1ncccc1CNC(=O)c1ccc(Cl)nc1NCCc1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
MAPT P10636 4/20 0.42
KMT2A Q03164 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GAA P10253 1/20 0.37
PIK3CD O00329 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RPS6KB1 P23443 1/20 0.35
CSNK2A2 P19784 2/20 0.35
CSNK2A1 P68400 2/20 0.35
GLA P06280 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
F2 P00734 2/20 0.34

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
SCHEMBL1631372 0.87 ROCK2 (0.39) MEN1MAPTKMT2AL3MBTL1KDM4E
SCHEMBL1856610 0.86 MEN1 (0.38) MEN1MAPTKMT2AL3MBTL1KDM4E
SCHEMBL1630359 0.85 MEN1 (0.39) MEN1MAPTKMT2AL3MBTL1KDM4E
SCHEMBL1863296 0.83 MAPT (0.47) MEN1MAPTKMT2AL3MBTL1KDM4E
SCHEMBL1863294 0.82 MEN1 (0.46) MEN1MAPTKMT2AL3MBTL1KDM4E
SCHEMBL1855062 0.81 MAPT (0.42) MEN1MAPTKMT2AL3MBTL1KDM4E
SCHEMBL12629063 0.81 MAPT (0.42) MEN1MAPTKMT2AL3MBTL1KDM4E
SCHEMBL1630794 0.77 GBA1 (0.48) MEN1MAPTKMT2AL3MBTL1KDM4E
Hydrochloric Acid SCHEMBL1881988 0.76 GBA1 (0.48) MEN1MAPTKMT2AL3MBTL1KDM4E
SCHEMBL14195485 0.74 MEN1 (0.46) MEN1MAPTKMT2AL3MBTL1KDM4E

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-7939534-B2 e.g. (2-{[2-(3-fluorophenyl)ethyl]amino}-6-piperidyl(3-pyridyl))-N-(3-pyridylmethyl)carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, chronic obstructive pulmonary disease, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-05-10 US disclosed