SCHEMBL19554141

SCHEMBL19554141

O=C(Nc1ccc(Cl)cc1C(=O)O)c1cnc2cc(Br)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.52
GRIK1 P39086 1/20 0.52
SERPINE1 P05121 10/20 0.51
AKR1C4 P17516 2/20 0.51
AKR1C3 P42330 2/20 0.51
AKR1C2 P52895 2/20 0.51
AKR1C1 Q04828 2/20 0.51
DNMT3A Q9Y6K1 1/20 0.51
DHODH Q02127 1/20 0.50
KCNK2 O95069 2/20 0.49
KCNK10 P57789 2/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL19554157 0.87 PPARG (0.56) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL19554150 0.87 KCNK2 (0.52) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL19554163 0.85 SERPINE1 (0.60) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL19554148 0.83 DHODH (0.70) ACLYGRIK1SERPINE1AKR1C4AKR1C3
SCHEMBL6833067 0.80 AKR1C2 (0.56) ACLYGRIK1SERPINE1AKR1C4AKR1C3
SCHEMBL1307201 0.77 KCNK2 (0.64) ACLYGRIK1SERPINE1AKR1C4AKR1C3
SCHEMBL19554134 0.77 SERPINE1 (0.68) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL19554183 0.76 SERPINE1 (0.52) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1352602 0.75 MGAM (0.62) KDM4E
SCHEMBL6833304 0.74 AKR1C2 (0.61) ACLYGRIK1SERPINE1AKR1C4AKR1C3

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