SCHEMBL29348279

SCHEMBL29348279

CC1Oc2ccncc2N(C(C)C)C1=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47
TSHR P16473 4/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
MAOA P21397 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BRD4 O60885 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOB P27338 1/20 0.32
PKM P14618 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
SCHEMBL29348226 1.00 PDE3B (0.47) PDE3BPDE3ATSHRALDH1A1L3MBTL1
SCHEMBL7349339 0.80 PDE3B (0.49) PDE3BPDE3ATSHRALDH1A1L3MBTL1
SCHEMBL13091065 0.75 TSHR (0.54) PDE3BPDE3ATSHRALDH1A1HTT
SCHEMBL21483647 0.73 PDE3B (0.53) PDE3BPDE3ATSHRALDH1A1HTT
SCHEMBL23424250 0.72 BRD4 (0.33) ALDH1A1HTTBRD4
SCHEMBL29348208 0.72 CYP11B1 (0.41) TSHRALDH1A1HTT
SCHEMBL23424316 0.68 CHRNB4 (0.33) HTTBRD4
SCHEMBL21486491 0.66 TSHR (0.47) PDE3BPDE3ATSHRALDH1A1L3MBTL1
SCHEMBL8029140 0.65 CASP3 (0.41) PDE3BPDE3AALDH1A1NPSR1
SCHEMBL7341476 0.65 PDE3B (1.00) PDE3BPDE3A

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
WO-2024151547-A1 TARGETED DEGRADATION OF VAV1 MONTE ROSA THERAPEUTICS, INC. (US) 2024-07-18 WO disclosed