SCHEMBL19088637

SCHEMBL19088637

COC(=O)/C=C/c1ccc(N2CCOC(C)C2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR2 P21802 1/20 0.44
FGFR3 P22607 1/20 0.44
ACVR1 Q04771 1/20 0.44
NR3C2 P08235 1/20 0.41
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 1/20 0.40
SYK P43405 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TYR P14679 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
WDR5 P61964 8/20 0.39
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 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
SCHEMBL3784306 0.84 ALDH1A1 (0.49) KDM4ESMN1; SMN2KMT2ACA12CA1
SCHEMBL3784304 0.84 ALDH1A1 (0.49) KDM4ESMN1; SMN2KMT2ACA12CA1
SCHEMBL23279523 0.83 NR3C2 (0.40) FGFR2FGFR3ACVR1NR3C2SYK
SCHEMBL16067901 0.80 NR3C2 (0.46) FGFR2FGFR3ACVR1NR3C2SMN1; SMN2
SCHEMBL4622159 0.79 CA12 (0.47) KDM4ESMN1; SMN2KMT2ACA12CA1
SCHEMBL29547544 0.76 NPSR1 (0.46) KDM4ESMN1; SMN2KMT2ACA12CA1
SCHEMBL27739984 0.73 ALDH1A1 (0.50) FGFR2FGFR3ACVR1NR3C2KDM4E
SCHEMBL14376036 0.73 NR3C2 (0.47) FGFR2FGFR3ACVR1NR3C2KDM4E
SCHEMBL20120950 0.73 HDAC1 (0.45) KDM4ESMN1; SMN2KMT2ACA12CA1
SCHEMBL20128887 0.72 GPR119 (0.52) SMN1; SMN2HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3397638-B1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2023-08-23 EP disclosed
WO-2017116702-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS MERIAL, INC. (US) 2017-07-06 WO disclosed