SCHEMBL29348792

SCHEMBL29348792

O=C1CCCC2(CC2)N1c1ccc(I)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
MMP13 P45452 7/20 0.36
KMT2A Q03164 1/20 0.33
MMP2 P08253 3/20 0.32
MMP3 P08254 3/20 0.32
MMP9 P14780 3/20 0.32
ALDH1A1 P00352 3/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.31
ABL1 P00519 1/20 0.30
SRC P12931 1/20 0.30

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
SCHEMBL29348791 0.83 POLB (0.41) MGLLMMP13KMT2AALDH1A1POLB
SCHEMBL29348793 0.83 MMP13 (0.53) FAAHMGLLMMP13KMT2AMMP2
SCHEMBL29348908 0.81 TNKS (0.39) FAAHMGLLMMP13KMT2AALDH1A1
SCHEMBL29348818 0.79 KMT2A (0.53) MGLLMMP13KMT2AMMP2MMP3
SCHEMBL24253818 0.73 MMP13 (0.44) MMP13KMT2AMMP2MMP3MMP9
SCHEMBL29349005 0.72 MMP13 (0.56) FAAHMGLLMMP13MMP2MMP3
SCHEMBL29348930 0.71 MMP13 (0.59) FAAHMGLLMMP13MMP2MMP3
SCHEMBL29348913 0.71 KMT2A (0.47) MGLLMMP13KMT2AALDH1A1POLB
SCHEMBL29348817 0.70 ALDH1A1 (0.41) MMP13MMP2MMP3MMP9ALDH1A1
SCHEMBL31068314 0.69 MMP13 (0.36) MMP13MMP2MMP3MMP9ALDH1A1

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