SCHEMBL20143838

SCHEMBL20143838

CC(C)C(C)Cc1nn[nH]n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
KDM6B O15054 1/20 0.37
KDM4A O75164 1/20 0.37
KDM5A P29375 1/20 0.37
NAALAD2 Q9Y3Q0 1/20 0.35
CTH P32929 1/20 0.34
MMP2 P08253 1/20 0.34
PADI4 Q9UM07 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL16297846 0.86 L3MBTL1 (0.41) L3MBTL1ALDH1A1LMNACA12CA1
SCHEMBL2651357 0.84
SCHEMBL21064667 0.77 L3MBTL1 (0.43) L3MBTL1ALDH1A1LMNACA12CA1
SCHEMBL4685007 0.77 L3MBTL1 (0.43) L3MBTL1ALDH1A1LMNACA12CA1
SCHEMBL20169222 0.74 L3MBTL1 (0.41) L3MBTL1ALDH1A1LMNACA12CA1
SCHEMBL14403837 0.72 L3MBTL1 (0.43) L3MBTL1ALDH1A1LMNACA12CA1
SCHEMBL12972991 0.71 L3MBTL1 (0.58) L3MBTL1ALDH1A1LMNACA12CA1
SCHEMBL253271 0.70
SCHEMBL12827125 0.70 CA12 (0.41) L3MBTL1ALDH1A1LMNACA12CA1
SCHEMBL14348162 0.70 L3MBTL1 (0.45) L3MBTL1ALDH1A1LMNACA12CA1

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
US-9969770-B2 Proline compounds as Granzyme B inhibitors VIDA THERAPEUTICS INC. (CA) 2018-05-15 US disclosed