SCHEMBL19554148

SCHEMBL19554148

O=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc2cc(Br)ccc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.70
DNMT3A Q9Y6K1 1/20 0.62
SERPINE1 P05121 9/20 0.61
AKR1C2 P52895 3/20 0.61
AKR1C1 Q04828 3/20 0.61
AKR1C4 P17516 2/20 0.61
AKR1C3 P42330 2/20 0.61
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA7 P43166 1/20 0.59
CA9 Q16790 1/20 0.59
GRIK1 P39086 1/20 0.58
ACLY P53396 1/20 0.55
KCNK2 O95069 1/20 0.55
KCNK10 P57789 1/20 0.55
MEN1 O00255 1/20 0.54
ABL1 P00519 1/20 0.54
MAPT P10636 1/20 0.54
TSHR P16473 1/20 0.54

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
SCHEMBL19554134 0.91 SERPINE1 (0.68) SERPINE1AKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL19554323 0.86 DHODH (0.68) DHODHDNMT3AAKR1C2AKR1C1AKR1C4
SCHEMBL1307201 0.85 KCNK2 (0.64) DNMT3ASERPINE1AKR1C2AKR1C1AKR1C4
SCHEMBL19554229 0.85 SERPINE1 (0.61) SERPINE1AKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL6357745 0.84 DHODH (0.78) DHODHDNMT3AAKR1C2AKR1C1AKR1C4
SCHEMBL19554141 0.83 ACLY (0.52) DHODHDNMT3ASERPINE1AKR1C2AKR1C1
SCHEMBL18120563 0.83 DHODH (1.00) DHODHAKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL19554260 0.82 DHODH (0.67) DHODHDNMT3AAKR1C2AKR1C1AKR1C4
SCHEMBL1307097 0.82 AKR1C2 (0.76) DNMT3ASERPINE1AKR1C2AKR1C1AKR1C4
SCHEMBL19554129 0.81 SERPINE1 (0.66) SERPINE1AKR1C2AKR1C1AKR1C4AKR1C3

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