SCHEMBL19554206

SCHEMBL19554206

O=C(Nc1cc(CO)c(Cl)cc1C(=O)O)c1ccc2cc(F)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 2/20 0.43
KCNK2 O95069 1/20 0.43
DHODH Q02127 1/20 0.43
ACLY P53396 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
MEN1 O00255 2/20 0.40
PKM P14618 2/20 0.40
KMT2A Q03164 2/20 0.40
PYGL P06737 2/20 0.40
MAPT P10636 1/20 0.40
GRIK1 P39086 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PRSS12 P56730 3/20 0.39
SSTR3 P32745 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
SCHEMBL19554338 0.91 SLC16A3 (0.43) SLC16A3KCNK2DHODHACLYMEN1
SCHEMBL19554145 0.87 ALDH1A1 (0.45) SLC16A3KCNK2DHODHMEN1PKM
SCHEMBL19554330 0.86 KCNK2 (0.46) KCNK2DHODHACLYMEN1PKM
SCHEMBL19554240 0.83 STING1 (0.50) KCNK2DHODHACLYMEN1PKM
SCHEMBL19554173 0.82 KCNK2 (0.48) KCNK2DHODHACLYMEN1PKM
SCHEMBL19555060 0.81 MPO (0.41) DHODHMEN1KMT2APYGLMAPT
SCHEMBL19554296 0.81 KCNK2 (0.40) KCNK2DHODHMEN1PKMKMT2A
SCHEMBL19554226 0.81 KCNK2 (0.42) KCNK2DHODHACLYMEN1PKM
SCHEMBL19554225 0.81 SERPINE1 (0.43) KCNK2DHODHACLYMEN1PKM
SCHEMBL19554093 0.81 SMN1; SMN2 (0.62) MEN1PKMKMT2APYGLMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO claimed
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed