SCHEMBL19554238

SCHEMBL19554238

O=C(Nc1cc(OC2CCOCC2)c(Cl)cc1C(=O)O)c1ccc2cc(F)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
ALB P02768 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
GRM5 P41594 1/20 0.40
SSTR3 P32745 1/20 0.40
KAT2B Q92831 1/20 0.40
BAZ2B Q9UIF8 1/20 0.40
BCL9 O00512 2/20 0.39
CTNNB1 P35222 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL19554215 0.91 SMN1; SMN2 (0.44) SMN1; SMN2ALBKDM4EALDH1A1HPGD
SCHEMBL19554419 0.85 BCL6 (0.42) GRM5KAT2BBAZ2BMEN1KMT2A
SCHEMBL19554182 0.83 NPC1 (0.42) SMN1; SMN2ALBPDE4DBCL9CTNNB1
SCHEMBL19554093 0.81 SMN1; SMN2 (0.62) SMN1; SMN2KDM4EALDH1A1HPGDMEN1
SCHEMBL19554233 0.79 HDAC3 (0.41) SMN1; SMN2KDM4EALDH1A1HPGDGRM5
SCHEMBL19554225 0.79 SERPINE1 (0.43) SERPINE1SMN1; SMN2ALBKDM4EALDH1A1
SCHEMBL19554290 0.79 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EALDH1A1HPGDMEN1
SCHEMBL19554240 0.78 STING1 (0.50) ALBKDM4EMEN1NPC1RAB9A
SCHEMBL19554330 0.78 KCNK2 (0.46) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL19554194 0.77 PDE5A (0.39) ALBGRM5BCL9CTNNB1NPC1

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