SCHEMBL29348462

SCHEMBL29348462

O=C1NC(O)CCC1c1cccc(-c2ccc(-n3ccc(C(F)(F)F)cc3=O)cc2)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.33
NR5A2 O00482 1/20 0.32
FPR2 P25090 1/20 0.31
ROCK2 O75116 2/20 0.31
ROCK1 Q13464 2/20 0.31
MCHR1 Q99705 3/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
GRM2 Q14416 1/20 0.31
S1PR5 Q9H228 1/20 0.31
KDR P35968 1/20 0.30
EDNRB P24530 1/20 0.30
EDNRA P25101 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
SCHEMBL29348204 0.85 F10 (0.37)
SCHEMBL31068127 0.84 DDB1 (0.41) MCHR1
SCHEMBL29348796 0.83 MCHR1 (0.33) ELANEROCK2ROCK1MCHR1NPC1
SCHEMBL29348429 0.74 CNR2 (0.32) NPC1RAB9A
SCHEMBL29348405 0.73 MET (0.31)
SCHEMBL29348458 0.73 CNR2 (0.31)
SCHEMBL29348402 0.73 CRBN (0.38) GRM2S1PR5
SCHEMBL29348470 0.72 DDB1 (0.42)
SCHEMBL29348798 0.72 DDB1 (0.42)
SCHEMBL29348463 0.72 DDB1 (0.38)

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