SCHEMBL29348208

SCHEMBL29348208

CC(C)N1C(=O)COc2ccncc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
PIK3CD O00329 2/20 0.40
PIK3R1 P27986 2/20 0.40
MTOR P42345 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
TP53 P04637 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 3/20 0.33
AAK1 Q2M2I8 1/20 0.33

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
SCHEMBL7350158 0.78 ALOX12 (0.47) TP53CYP2D6POLBALDH1A1CYP2C9
SCHEMBL11021537 0.76 HDAC6 (0.42) CYP11B1CYP11B2HDAC6TP53SLC22A6
SCHEMBL11021442 0.76 CYP11B1 (0.41) CYP11B1CYP11B2HDAC6TP53SLC22A6
SCHEMBL14560232 0.73 BMPR1B (0.46) CYP3A4CYP2D6ALDH1A1CYP2C9BMPR1B
SCHEMBL13140225 0.73 KMO (0.51) PIK3CDPIK3R1MTORPOLBHTT
SCHEMBL17807815 0.73 PIK3CD (0.41) PIK3CDPIK3R1MTORPOLBALDH1A1
SCHEMBL18237516 0.73 PIK3CD (0.31) CYP11B1CYP11B2PIK3CDPIK3R1MTOR
SCHEMBL13019295 0.72 SMN1; SMN2 (0.40) CYP11B1CYP11B2HDAC6CYP3A4CYP2D6
SCHEMBL29348279 0.72 PDE3B (0.47) ALDH1A1HTTTSHR
SCHEMBL29348226 0.72 PDE3B (0.47) ALDH1A1HTTTSHR

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