SCHEMBL19554111

SCHEMBL19554111

COc1cc(NC(=O)c2ccc3cc(Cl)ccc3c2)c(C(=O)O)cc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
PKM P14618 1/20 0.58
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
TAS1R2 Q8TE23 1/20 0.52
AKR1C4 P17516 1/20 0.51
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
AKR1C1 Q04828 1/20 0.51
ALDH1A1 P00352 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA7 P43166 1/20 0.50
NPC1 O15118 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
KCNH2 Q12809 1/20 0.50
KDM4E B2RXH2 3/20 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
SCHEMBL19554283 0.89 KDM4E (0.60) KMT2AMEN1NPSR1PKMTAS1R3
SCHEMBL19554108 0.89 CYP1A2 (0.55) KMT2AMEN1NPSR1PKMTAS1R3
SCHEMBL19554266 0.84 KMT2A (0.55) KMT2AMEN1NPSR1PKMAKR1C4
SCHEMBL19554152 0.83 MEN1 (0.47) KMT2AMEN1NPSR1PKMAKR1C4
SCHEMBL19554093 0.82 SMN1; SMN2 (0.62) KMT2AMEN1NPSR1PKMTAS1R3
SCHEMBL19554122 0.81 AKR1C4 (0.61) KMT2AMEN1NPSR1AKR1C4AKR1C3
SCHEMBL19554221 0.80 KMT2A (0.64) KMT2AMEN1NPSR1PKMAKR1C4
SCHEMBL19554134 0.79 SERPINE1 (0.68) AKR1C4AKR1C3AKR1C2AKR1C1CA12
SCHEMBL19554263 0.79 MEN1 (0.51) KMT2AMEN1NPSR1PKMAKR1C4
SCHEMBL19575780 0.79 AKR1C4 (0.55) KMT2AMEN1NPSR1PKMAKR1C4

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