SCHEMBL29348456

SCHEMBL29348456

O=C1CCC(c2cccc(-c3ccc(C(=O)Nc4ccon4)cc3)c2Cl)C(O)N1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK14 Q16539 4/20 0.38
HTT P42858 3/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 2/20 0.35
EPHX2 P34913 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
MEN1 O00255 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL31068370 0.83 SMN1; SMN2 (0.43) SMN1; SMN2TSHRRAB9ANPC1LMNA
SCHEMBL29348360 0.77 PDCD1LG2 (0.39) SMN1; SMN2RAB9ANPC1ALDH1A1HTT
SCHEMBL29348448 0.76 FFAR2 (0.34)
SCHEMBL29348449 0.74 CREBBP (0.46) SMN1; SMN2TSHRRAB9ANPC1ALDH1A1
SCHEMBL29348769 0.70 F10 (0.36)
SCHEMBL29348200 0.70 F10 (0.36)
SCHEMBL29348776 0.69 CNR2 (0.32) RAB9AALDH1A1
SCHEMBL29349028 0.68 CNR2 (0.36)
SCHEMBL29348526 0.68 ROCK2 (0.35)
SCHEMBL31068131 0.68 CRBN (0.37)

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