SCHEMBL19554188

SCHEMBL19554188

CC(C)Oc1cc(NC(=O)c2ccc3cc(Cl)ccc3c2)c(C(=O)O)cc1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 5/20 0.47
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SERPINE1 P05121 4/20 0.43
XDH P47989 1/20 0.43
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
PRSS12 P56730 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL19554253 0.90 F11 (0.46) F11MEN1PKMKMT2ANPSR1
SCHEMBL19554266 0.89 KMT2A (0.55) MEN1PKMKMT2ANPSR1SERPINE1
SCHEMBL19554263 0.87 MEN1 (0.51) MEN1PKMKMT2ANPSR1SERPINE1
SCHEMBL19570245 0.86 NPC1 (0.49) F11MEN1PKMKMT2ANPSR1
SCHEMBL19554190 0.83 KMT2A (0.49) MEN1PKMKMT2ANPSR1SERPINE1
SCHEMBL19554136 0.83 MEN1 (0.48) MEN1PKMKMT2ANPSR1SERPINE1
SCHEMBL19554246 0.82 PDE4B (0.44) F11MEN1PKMKMT2ANPSR1
SCHEMBL19554171 0.82 PDE5A (0.48) MEN1PKMKMT2ANPSR1SERPINE1
SCHEMBL19554231 0.81 KMT2A (0.50) MEN1PKMKMT2ANPSR1SERPINE1
SCHEMBL19554218 0.81 MEN1 (0.47) MEN1PKMKMT2ANPSR1SERPINE1

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