SCHEMBL24379050

SCHEMBL24379050

C#CCNC(=O)c1ccc(N)c(N)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
KDM4E B2RXH2 3/20 0.47
NAMPT P43490 1/20 0.46
ALOX15 P16050 2/20 0.45
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LNPEP Q9UIQ6 2/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SCD O00767 1/20 0.40
ERAP1 Q9NZ08 1/20 0.40
FNTA P49354 5/20 0.39
FNTB P49356 5/20 0.39
MAPT P10636 2/20 0.38
HIF1A Q16665 1/20 0.38
SLC22A6 Q4U2R8 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
SCHEMBL26726417 0.87 CA12 (0.55) CA12CA1CA2CA9CA14
SCHEMBL25320111 0.86 CA12 (0.54) CA12CA1CA2CA9CA14
SCHEMBL17253366 0.84 CA1 (0.52) CA12CA1CA2CA9CA14
SCHEMBL24379051 0.81 CA12 (0.41) CA12CA1CA2CA9CA14
SCHEMBL7210123 0.81 CA12 (0.68) CA12CA1CA2CA9CA14
Hydrochloric Acid SCHEMBL2952907 0.79 ALOX15 (0.56) CA12CA9KDM4EALOX15LMNA
Hydrochloric Acid SCHEMBL27687311 0.79 ALOX15 (0.56) CA12CA9KDM4EALOX15LMNA
SCHEMBL25318565 0.79 CA12 (0.47) CA12CA1CA2CA9CA14
SCHEMBL31116810 0.79 KDM4E (0.54) CA12CA1CA2CA9CA14
SCHEMBL17689597 0.78 NR1H4 (0.56) CA12CA1CA2CA9CA14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357757-A1 SELF-PURIFIED NUCLEIC ACID ENCODED LIBRARIES PETROV, DIMITAR (CH) 2023-11-09 US disclosed
US-20230357757-A1 SELF-PURIFIED NUCLEIC ACID ENCODED LIBRARIES PETROV, DIMITAR (CH) 2023-11-09 US disclosed
WO-2022084486-A1 SELF-PURIFIED NUCLEIC ACID ENCODED LIBRARIES ETH ZURICH (CH) 2022-04-28 WO disclosed