SCHEMBL18166408

SCHEMBL18166408

CC(NC(=O)Oc1cc(-c2ccc(Cl)cc2Cl)cc(-n2cnnn2)c1)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 5/20 0.46
F2 P00734 3/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TBXA2R P21731 1/20 0.37
PTGER1 P34995 1/20 0.37
DGAT2 Q96PD7 1/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
MAPT P10636 1/20 0.36
F11 P03951 1/20 0.36
KCNA5 P22460 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
CNR1 P21554 1/20 0.35

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
SCHEMBL18166307 0.92 MARS1 (0.37) MARS1F2MEN1KMT2ADGAT2
SCHEMBL18166440 0.91 MARS1 (0.40) MARS1F2MEN1KMT2ADGAT2
SCHEMBL10243038 0.87 MARS1 (0.47) MARS1F2MEN1KMT2ATBXA2R
SCHEMBL18166327 0.85 ROCK1 (0.39) DGAT2ROCK2ROCK1KCNA5LMNA
SCHEMBL18166443 0.85 MARS1 (0.43) MARS1MEN1KMT2AMAPTF11
SCHEMBL18166303 0.85 ROCK1 (0.39) F2KMT2ADGAT2ROCK2ROCK1
SCHEMBL18166321 0.84 KMT2A (0.44) KMT2ADGAT2ROCK2ROCK1
SCHEMBL18166354 0.83 KMT2A (0.38) F2MEN1KMT2ADGAT2ROCK2
SCHEMBL18166314 0.83 ROCK1 (0.40) F2MEN1KMT2ADGAT2ROCK2
SCHEMBL18036409 0.82 LMNA (0.42) MARS1F2MEN1KMT2AMAPT

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
EP-2038264-B1 TETRAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2016-10-26 EP claimed