SCHEMBL29348796

SCHEMBL29348796

C=C1CCC(c2cccc(-c3ccc(-n4ccc(C(F)(F)F)cc4=O)cc3)c2Cl)C(=O)N1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
ROCK2 O75116 2/20 0.31
ROCK1 Q13464 2/20 0.31
HTR7 P34969 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PARP10 Q53GL7 1/20 0.30
PARP11 Q9NR21 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
ELANE P08246 2/20 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
SCHEMBL31068127 0.91 DDB1 (0.41) MCHR1DDB1CRBN
SCHEMBL29348462 0.83 ELANE (0.33) MCHR1ROCK2ROCK1NPC1RAB9A
SCHEMBL29348402 0.80 CRBN (0.38) DDB1CRBN
SCHEMBL29348470 0.80 DDB1 (0.42) DDB1CRBN
SCHEMBL29348798 0.80 DDB1 (0.42) DDB1CRBN
SCHEMBL29348463 0.79 DDB1 (0.38) DDB1CRBN
SCHEMBL29348452 0.77 DDB1 (0.44) DDB1CRBN
SCHEMBL29348202 0.76 DDB1 (0.45) DDB1CRBN
SCHEMBL29348198 0.76 DDB1 (0.45) DDB1CRBN
SCHEMBL29348199 0.76 DDB1 (0.45) DDB1CRBN

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