SCHEMBL19554152

SCHEMBL19554152

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 1/20 0.47
SERPINE1 P05121 4/20 0.47
AKR1C4 P17516 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
PRSS12 P56730 3/20 0.44
KCNK2 O95069 2/20 0.43
KCNK10 P57789 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL19554312 0.90 KMT2A (0.48) MEN1PKMKMT2ANPSR1SMN1; SMN2
SCHEMBL19554201 0.84 SERPINE1 (0.59) MEN1PKMKMT2ANPSR1SMN1; SMN2
SCHEMBL19554253 0.84 F11 (0.46) MEN1PKMKMT2ANPSR1SMN1; SMN2
SCHEMBL19554111 0.83 KMT2A (0.58) MEN1PKMKMT2ANPSR1SMN1; SMN2
SCHEMBL19554337 0.78 AKR1C4 (0.54) MEN1KMT2ASMN1; SMN2AKR1C4AKR1C3
SCHEMBL19554134 0.78 SERPINE1 (0.68) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL19554263 0.77 MEN1 (0.51) MEN1PKMKMT2ANPSR1SERPINE1
SCHEMBL19554300 0.76 MAPT (0.56) MEN1PKMKMT2ANPSR1SMN1; SMN2
SCHEMBL19554283 0.76 KDM4E (0.60) MEN1PKMKMT2ANPSR1SMN1; SMN2
SCHEMBL19554229 0.75 SERPINE1 (0.61) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1

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