SCHEMBL27290352

SCHEMBL27290352

CNNc1ccc(COC(=O)C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ADRB2 P07550 1/20 0.39
ADRA2A P08913 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2C P18825 1/20 0.39
DRD1 P21728 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39
GAA P10253 3/20 0.39
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL10255243 0.86 APP (0.44) ROCK2MEN1KMT2AMAPTKDM4E
SCHEMBL15762727 0.84 ALDH1A1 (0.48) ROCK2MEN1KMT2AKDM4EADRB2
SCHEMBL13746231 0.81 ROCK2 (0.42) ROCK2MEN1KMT2AMAPTKDM4E
SCHEMBL9917266 0.81 RXFP1 (0.44) ROCK2MEN1KMT2AMAPTKDM4E
SCHEMBL23347013 0.81 ROCK2 (0.42) ROCK2MEN1KMT2AMAPTKDM4E
SCHEMBL23193237 0.81 ROCK2 (0.45) ROCK2MEN1KMT2AMAPTKDM4E
SCHEMBL25448141 0.81 ROCK2 (0.42) ROCK2MEN1KMT2AMAPTKDM4E
SCHEMBL21671263 0.80 MEN1 (0.56) ROCK2MEN1KMT2AMAPTKDM4E
SCHEMBL19491612 0.80 KMT2A (0.58) MEN1KMT2AMAPTKDM4ENPSR1
SCHEMBL19154800 0.80 ROCK2 (0.41) ROCK2MEN1KMT2AMAPTKDM4E

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-2024129756-A1 SITE-SPECIFIC ENGINEERED CYSTEINE ANTIBODY DRUG CONJUGATES SEAGEN INC. (US) 2024-06-20 WO disclosed