SCHEMBL21646212

SCHEMBL21646212

CC(C)Cn1ccnc1SSc1nccn1CC(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
KCNH2 Q12809 1/20 0.31
DYRK1A Q13627 1/20 0.31
TLR8 Q9NR97 1/20 0.31
GFER P55789 1/20 0.31
SLC29A1 Q99808 1/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX12 P18054 1/20 0.30
CYP2C19 P33261 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
SCHEMBL27758866 0.80 SLC29A1 (0.44) BRD4POLBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL4265964 0.76 CYP1A2 (0.60) POLBSMN1; SMN2ALDH1A1KMT2AGAA
SCHEMBL179780 0.75 KMT2A (0.52) BRD4POLBALDH1A1KMT2AMEN1
SCHEMBL28221636 0.73 BRD4 (0.42) BRD4POLBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL10147178 0.73 BRD4 (0.42) BRD4POLBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL10147187 0.73 SMN1; SMN2 (0.53) BRD4POLBSMN1; SMN2KCNH2CYP2D6
SCHEMBL28957334 0.73 POLB (0.46) POLBSMN1; SMN2ALDH1A1KMT2AGAA
SCHEMBL18787552 0.73 BRD4 (0.34) BRD4POLBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL2638232 0.72 KCNH2 (0.42) BRD4POLBSMN1; SMN2ALDH1A1KMT2A
Bromide SCHEMBL10795216 0.72 TLR8 (0.50) BRD4POLBSMN1; SMN2KCNH2TLR8

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-2020028616-A1 METHODS FOR MANUFACTURING RECOMBINANT PROTEIN COMPRISING A DISULFIDE BOND LONZA LTD (CH) 2020-02-06 WO disclosed