SCHEMBL30064136

SCHEMBL30064136

Cc1cnccc1C(=O)NC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 2/20 0.43
APEX1 P27695 1/20 0.42
TYK2 P29597 1/20 0.41
KDM4C Q9H3R0 2/20 0.41
SYK P43405 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
GLA P06280 2/20 0.40
GAA P10253 2/20 0.40
MAPK1 P28482 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL1423953 1.00 SIRT3 (0.43) SIRT3TDP1POLBSMN1; SMN2HPGD
SCHEMBL28828166 0.86 SIRT3 (0.56) SIRT3TDP1POLBSMN1; SMN2HPGD
SCHEMBL7344134 0.81 POLB (0.53) POLBSMN1; SMN2HPGDAPEX1KDM4C
SCHEMBL30674829 0.80 KDM4C (0.49) SIRT3TDP1SMN1; SMN2HPGDTYK2
SCHEMBL1423962 0.80 RAB9A (0.42) POLBSMN1; SMN2HPGDAPEX1KDM4C
SCHEMBL2989594 0.79 KDM4E (0.50) SIRT3TDP1TYK2KDM4CL3MBTL1
SCHEMBL28948291 0.78 HPGD (0.42) SIRT3TDP1POLBSMN1; SMN2HPGD
SCHEMBL30171323 0.78 HPGD (0.42) SIRT3TDP1POLBSMN1; SMN2HPGD
SCHEMBL24997725 0.76 KDM5A (0.45) SIRT3TDP1TYK2KDM4CL3MBTL1
SCHEMBL29467545 0.76 ALDH1A1 (0.51) SIRT3TDP1HPGDTYK2KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4347594-A1 2, 8-DIAZASPIRO [4.5] DECANE COMPOUNDS Genentech, Inc. (US) 2024-04-10 EP disclosed
WO-2022253341-A1 2, 8-DIAZASPIRO [4.5] DECANE COMPOUNDS GENENTECH, INC. (US) 2022-12-08 WO disclosed