SCHEMBL24099446

SCHEMBL24099446

N#CC(CCCN)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 2/20 0.36
GSR P00390 1/20 0.34
RNPEP Q9H4A4 1/20 0.33
MCL1 Q07820 1/20 0.31
GABRR3 A8MPY1 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
HDAC3 O15379 1/20 0.31
GABBR2 O75899 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
GABRA1 P14867 1/20 0.31
TSHR P16473 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRR1 P24046 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRR2 P28476 1/20 0.31
SLC6A1 P30531 1/20 0.31

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
SCHEMBL21315460 0.86
SCHEMBL10500307 0.83 MCL1 (0.36) MCL1BLMKMT2A
SCHEMBL319447 0.81 CA2 (0.50) TSHRDPP4DPP8DPP9DPP7
SCHEMBL7294408 0.79 CA1 (0.44)
SCHEMBL27993318 0.79 SLC1A2 (0.35) MCL1TSHRKMT2A
SCHEMBL10883771 0.78 GPR84 (0.42)
SCHEMBL8649627 0.78 GPR84 (0.42)
SCHEMBL4830821 0.78 GPR84 (0.42)
SCHEMBL320507 0.77
Cyanoacetamide SCHEMBL7566272 0.76 MCL1 (0.56) MCL1LMNAKMT2A

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-2021252849-A1 INHIBITORS OF APOL1 AND USE OF THE SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-12-16 WO disclosed