SCHEMBL29348332

SCHEMBL29348332

Cc1c(Br)cccc1C(C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
APP P05067 1/20 0.36
LMNA P02545 2/20 0.34
AAK1 Q2M2I8 3/20 0.33
MAPK1 P28482 1/20 0.33
LCK P06239 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL29348334 0.81 APP (0.36) KMT2AAPPLMNAAAK1MAPK1
SCHEMBL5215418 0.80 ESR1 (0.42) KMT2AAPPLMNAAAK1MAPK1
SCHEMBL14721160 0.80 ESR1 (0.42) KMT2AAPPLMNAAAK1MAPK1
SCHEMBL28880398 0.80 HTT (0.43) HTTKMT2AMEN1NPC1RAB9A
SCHEMBL15336461 0.80 HTT (0.43) HTTKMT2AMEN1NPC1RAB9A
SCHEMBL29824350 0.80 HTT (0.43) HTTKMT2AMEN1NPC1RAB9A
SCHEMBL29348329 0.77 HTT (0.35) HTTKMT2AMEN1NPC1RAB9A
SCHEMBL7746373 0.76 GABRA1 (0.47) KMT2AAPPLMNAAAK1
SCHEMBL16782680 0.75 MEN1 (0.46) KMT2AMEN1LMNACYP2C9CYP2C19
SCHEMBL5216247 0.75 ITGA4 (0.40) KMT2AAPPLMNAAAK1CTSS

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