SCHEMBL19554355

SCHEMBL19554355

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.56
SLC16A3 O15427 1/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
GAA P10253 1/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPT P10636 1/20 0.55
PKM P14618 1/20 0.55
GRIK1 P39086 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
KDM4E B2RXH2 1/20 0.54
NR1H4 Q96RI1 2/20 0.53
SERPINE1 P05121 3/20 0.51
AKR1C4 P17516 1/20 0.51
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
AKR1C1 Q04828 1/20 0.51
F10 P00742 1/20 0.51
DEGS1 O15121 1/20 0.50

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) DHODHSLC16A3NPC1RAB9AGAA
SCHEMBL19554234 0.90 DHODH (0.58) DHODHSLC16A3NPC1RAB9AGAA
SCHEMBL19554323 0.86 DHODH (0.68) DHODHMEN1KMT2AMAPTPKM
SCHEMBL19554221 0.86 KMT2A (0.64) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL1307456 0.85 GRIK1 (0.67) DHODHSLC16A3MEN1KMT2APKM
SCHEMBL19554207 0.84 RAB9A (0.52) DHODHSLC16A3NPC1RAB9AGAA
SCHEMBL19554169 0.83 DHODH (0.56) DHODHSLC16A3NPC1RAB9AGAA
SCHEMBL19554175 0.83 F2 (0.47) DHODHSLC16A3NPC1RAB9AMEN1
SCHEMBL8044197 0.82 DHODH (0.79) DHODHSLC16A3NPC1RAB9AMEN1
SCHEMBL6357745 0.80 DHODH (0.78) DHODHSLC16A3NPC1RAB9AMEN1

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