SCHEMBL19554246

SCHEMBL19554246

N#Cc1cc(C(=O)O)c(NC(=O)c2ccc3cc(Cl)ccc3c2)cc1OCC1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.44
PDE4A P27815 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SERPINE1 P05121 4/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.42
NR1H4 Q96RI1 2/20 0.42
XDH P47989 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
F11 P03951 2/20 0.40
KLKB1 P03952 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
F10 P00742 1/20 0.40

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
SCHEMBL19570245 0.88 NPC1 (0.49) MEN1PKMKMT2ANPSR1SERPINE1
SCHEMBL19554171 0.85 PDE5A (0.48) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL19554266 0.84 KMT2A (0.55) MEN1PKMKMT2ANPSR1SERPINE1
SCHEMBL19554188 0.82 F11 (0.47) MEN1PKMKMT2ANPSR1SERPINE1
SCHEMBL19554253 0.82 F11 (0.46) PDE4BMEN1PKMKMT2ANPSR1
SCHEMBL19554136 0.81 MEN1 (0.48) MEN1PKMKMT2ANPSR1SERPINE1
SCHEMBL19554190 0.79 KMT2A (0.49) MEN1PKMKMT2ANPSR1SERPINE1
SCHEMBL19554218 0.77 MEN1 (0.47) MEN1PKMKMT2ANPSR1SERPINE1
SCHEMBL19554231 0.77 KMT2A (0.50) MEN1PKMKMT2ANPSR1SERPINE1
SCHEMBL19554178 0.76 NPC1 (0.52) MEN1KMT2ANPC1ALDH1A1RAB9A

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