SCHEMBL21697025

SCHEMBL21697025

Cc1ccc(C2=CN=CCO2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
NPC1 O15118 7/20 0.33
RAB9A P51151 7/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
HPGD P15428 2/20 0.32
NOTUM Q6P988 1/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 2/20 0.32
NR1H4 Q96RI1 1/20 0.32
MEN1 O00255 1/20 0.32
ENPP3 O14638 1/20 0.32

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
SCHEMBL22423677 0.67 PTGS1 (0.34) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL13258567 0.65 NISCH (0.36) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL10425527 0.62 ACHE (0.47) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL28148610 0.61 NOTUM (0.35) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL30933547 0.61 NPC1 (0.39) PDE3BPDE3ANPC1RAB9ASMN1; SMN2
SCHEMBL197731 0.59 ACHE (0.73) ALDH1A1HPGDLMNAENPP3ENPP1
SCHEMBL3287696 0.59 ACHE (0.73) ALDH1A1HPGDLMNAENPP3ENPP1
SCHEMBL18661495 0.59 ACHE (0.73) ALDH1A1HPGDLMNAENPP3ENPP1
Water SCHEMBL3763584 0.57 ACHE (0.67) ALDH1A1HPGDLMNAENPP3ENPP1
SCHEMBL31498547 0.57 ACHE (0.67) ALDH1A1HPGDNOTUMLMNAENPP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3608317-A1 COMPOUNDS & METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS & OTHER POLYPEPTIDES BY AN E3 UBIQUITIN LIGASE Yale University (US) 2020-02-12 EP disclosed