SCHEMBL19554169

SCHEMBL19554169

O=C(Nc1cc(F)c(F)cc1C(=O)O)c1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.56
SLC16A3 O15427 1/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
PKM P14618 2/20 0.55
MAPT P10636 1/20 0.55
GRIK1 P39086 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
KDM4E B2RXH2 2/20 0.54
NR1H4 Q96RI1 4/20 0.53
ACLY P53396 1/20 0.52
PPARG P37231 2/20 0.50
DEGS1 O15121 1/20 0.50
GAA P10253 1/20 0.49
PTPN1 P18031 1/20 0.49

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
SCHEMBL19554172 0.90 DHODH (0.52) DHODHSLC16A3NPC1RAB9AMEN1
SCHEMBL19554123 0.89 KCNK2 (0.50) DHODHSLC16A3NPC1RAB9AMEN1
SCHEMBL19554355 0.83 DHODH (0.56) DHODHSLC16A3NPC1RAB9AMEN1
SCHEMBL19554170 0.83 F2 (0.47) DHODHSLC16A3MEN1KMT2APKM
SCHEMBL8044197 0.82 DHODH (0.79) DHODHSLC16A3NPC1RAB9AMEN1
SCHEMBL19575825 0.82 KMT2A (0.59) DHODHSLC16A3NPC1RAB9AMEN1
SCHEMBL4024629 0.81 TERT (0.74) DHODHNPC1RAB9AKDM4EDEGS1
SCHEMBL6357745 0.80 DHODH (0.78) DHODHSLC16A3NPC1RAB9AMEN1
SCHEMBL1307456 0.80 GRIK1 (0.67) DHODHSLC16A3MEN1KMT2APKM
SCHEMBL19554330 0.79 KCNK2 (0.46) DHODHMEN1KMT2APKMMAPT

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