SCHEMBL18166307

SCHEMBL18166307

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 1/20 0.37
WDR5 P61964 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
DGAT2 Q96PD7 1/20 0.36
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 3/20 0.34
TP53 P04637 3/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
POLB P06746 2/20 0.34
KCNA5 P22460 1/20 0.34
KCNH2 Q12809 1/20 0.34
F2 P00734 1/20 0.34
PTGS2 P35354 1/20 0.34
ALDH1A1 P00352 1/20 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
SCHEMBL18166408 0.92 MARS1 (0.46) MARS1DGAT2ROCK2ROCK1KMT2A
SCHEMBL18166327 0.92 ROCK1 (0.39) SMN1; SMN2USP2TSHRDGAT2ROCK2
SCHEMBL18166354 0.91 KMT2A (0.38) WDR5DGAT2ROCK2ROCK1KMT2A
SCHEMBL10243094 0.88 WDR5 (0.40) MARS1WDR5ROCK2ROCK1CYP3A4
SCHEMBL18166303 0.86 ROCK1 (0.39) SMN1; SMN2USP2TSHRDGAT2ROCK2
SCHEMBL18166345 0.86 WDR5 (0.44) MARS1WDR5TSHRKMT2AMEN1
SCHEMBL18036449 0.83 DGAT2 (0.39) TSHRDGAT2KMT2AMEN1LMNA
SCHEMBL18166266 0.83 KMT2A (0.43) DGAT2ROCK2ROCK1KMT2ACYP3A4
SCHEMBL18166440 0.83 MARS1 (0.40) MARS1DGAT2KMT2AMEN1F2
SCHEMBL18166321 0.82 KMT2A (0.44) TSHRDGAT2ROCK2ROCK1KMT2A

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