SCHEMBL17769720

SCHEMBL17769720

O=C(O)c1c[nH]c2c(Cc3ccccc3)c(Cl)c(F)cc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 4/20 0.49
CSNK2B P67870 4/20 0.49
CSNK2A1 P68400 4/20 0.49
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
MDH2 P40926 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 2/20 0.43
DNA2 P51530 1/20 0.42
CASP6 P55212 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
CYP1A2 P05177 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRA3 P34903 1/20 0.39

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
SCHEMBL4650054 0.92 CSNK2A2 (0.48) CSNK2A2CSNK2BCSNK2A1RAB9AALDH1A1
SCHEMBL4649429 0.88 ALDH1A1 (0.49) CSNK2A2CSNK2BCSNK2A1RAB9AALDH1A1
SCHEMBL4650129 0.85 CSNK2A2 (0.42) CSNK2A2CSNK2BCSNK2A1ALDH1A1HPGD
SCHEMBL5194351 0.83 CSNK2A2 (0.50) CSNK2A2CSNK2BCSNK2A1RAB9AALDH1A1
SCHEMBL3812191 0.82 CSNK2A2 (0.49) CSNK2A2CSNK2BCSNK2A1RAB9AALDH1A1
SCHEMBL4649447 0.81 RAB9A (0.49) CSNK2A2CSNK2BCSNK2A1RAB9AALDH1A1
SCHEMBL17769482 0.80 CSNK2A2 (0.47) CSNK2A2CSNK2BCSNK2A1RAB9AALDH1A1
SCHEMBL11014833 0.80 CSNK2A2 (0.52) CSNK2A2CSNK2BCSNK2A1RAB9AALDH1A1
SCHEMBL4650046 0.79 RAB9A (0.47) CSNK2A2CSNK2BCSNK2A1RAB9AALDH1A1
SCHEMBL11015195 0.79 CSNK2A2 (0.51) CSNK2A2CSNK2BCSNK2A1RAB9AALDH1A1

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