SCHEMBL15599247

SCHEMBL15599247

CCc1cnc(OCC(F)(F)C(F)(F)F)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.36
AAK1 Q2M2I8 5/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
SSTR4 P31391 2/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
NUDT1 P36639 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.31
RXRA P19793 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL15599157 0.88 SMN1; SMN2 (0.39) PTGS2SMN1; SMN2MRGPRX4LMNACYP1A2
SCHEMBL15599257 0.82 MAPK1 (0.43) PTGS2AAK1SMN1; SMN2
SCHEMBL24599916 0.81 SSTR4 (0.44) PTGS2AAK1SMN1; SMN2MRGPRX4LMNA
SCHEMBL16175019 0.78 RAB9A (0.39) AAK1SMN1; SMN2MRGPRX4LMNACYP1A2
SCHEMBL17244901 0.78 AAK1 (0.39) AAK1SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL15599248 0.76 CSNK2A1 (0.34) PTGS2SMN1; SMN2MRGPRX4LMNARXRA
SCHEMBL16770601 0.76 SMN1; SMN2 (0.37) PTGS2SMN1; SMN2MRGPRX4LMNACYP1A2
SCHEMBL18400155 0.76 PTGS2 (0.36) PTGS2AAK1SMN1; SMN2LMNACYP1A2
SCHEMBL10332075 0.75 SMN1; SMN2 (0.39) PTGS2SMN1; SMN2LMNA
SCHEMBL21031212 0.73 HCRTR1 (0.44) SMN1; SMN2LMNARXRAGRIN1GRIN2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550775-B2 Substituted triazolopyridines and methods of use thereof GENENTECH, INC. (US) 2017-01-24 US disclosed
WO-2014153037-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-09-25 WO disclosed
WO-2014144545-A2 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-09-18 WO disclosed
WO-2014008458-A2 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-01-09 WO disclosed