SCHEMBL17769482

SCHEMBL17769482

CC(C)Cc1c(Cl)c(F)cc2c(=O)c(C(=O)O)c[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 4/20 0.47
CSNK2B P67870 4/20 0.47
CSNK2A1 P68400 4/20 0.47
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
TNF P01375 2/20 0.38
CYP1A2 P05177 3/20 0.38
HSD17B10 Q99714 1/20 0.38
DNA2 P51530 1/20 0.38
CASP6 P55212 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 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
SCHEMBL5194351 0.86 CSNK2A2 (0.50) CSNK2A2CSNK2BCSNK2A1ALDH1A1KDM4E
SCHEMBL17769581 0.85 CYP1A2 (0.54) ALDH1A1KDM4EHPGDCYP1A2HSD17B10
SCHEMBL3812191 0.85 CSNK2A2 (0.49) CSNK2A2CSNK2BCSNK2A1ALDH1A1KDM4E
SCHEMBL4969264 0.81 CSNK2A2 (0.50) CSNK2A2CSNK2BCSNK2A1ALDH1A1KDM4E
SCHEMBL17769720 0.80 CSNK2A2 (0.49) CSNK2A2CSNK2BCSNK2A1ALDH1A1KDM4E
SCHEMBL8591424 0.80 CSNK2A2 (0.60) CSNK2A2CSNK2BCSNK2A1ALDH1A1KDM4E
SCHEMBL4650054 0.79 CSNK2A2 (0.48) CSNK2A2CSNK2BCSNK2A1ALDH1A1KDM4E
SCHEMBL17769485 0.79 CSNK2A2 (0.38) CSNK2A2CSNK2BCSNK2A1ALDH1A1KDM4E
SCHEMBL10768287 0.77 CSNK2A2 (0.44) CSNK2A2CSNK2BCSNK2A1ALDH1A1KDM4E
SCHEMBL4974043 0.77 CSNK2A2 (0.50) CSNK2A2CSNK2BCSNK2A1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3221295-A1 MONOCARBOXYLATE TRANSPORT MODULATORS AND USES THEREOF Nirogyone Therapeutics, Inc. (US) 2017-09-27 EP disclosed
WO-2016081464-A1 MONOCARBOXYLATE TRANSPORT MODULATORS AND USES THEREOF NIROGYONE THERAPEUTICS, INC. (US) 2016-05-26 WO disclosed