SCHEMBL9257119

SCHEMBL9257119

CC(C)(C)n1nnc(-c2ccccc2B(O)O)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AOC3 Q16853 2/20 0.36
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HPGD P15428 1/20 0.35
PDK2 Q15119 1/20 0.34
ABCG2 Q9UNQ0 3/20 0.33
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
KDM1A O60341 1/20 0.30
ABCB1 P08183 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
SCHEMBL8595377 0.92 SMN1; SMN2 (0.39) POLBSMN1; SMN2AOC3NPC1RAB9A
SCHEMBL9131392 0.89 POLB (0.38) POLBSMN1; SMN2AOC3NPC1RAB9A
SCHEMBL4888374 0.85 POLB (0.39) POLBSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL2564080 0.84 SMN1; SMN2 (0.37) POLBSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL29954781 0.84 SMN1; SMN2 (0.37) POLBSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL27357705 0.78 POLB (0.38) POLBSMN1; SMN2AOC3NPC1RAB9A
SCHEMBL8596999 0.78 POLB (0.38) POLBSMN1; SMN2AOC3NPC1RAB9A
SCHEMBL6188044 0.77 GRM5 (0.39) POLBSMN1; SMN2AOC3NPC1RAB9A
SCHEMBL4990435 0.76 SMN1; SMN2 (0.36) POLBSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL8788397 0.75 NPSR1 (0.55) SMN1; SMN2NPC1RAB9AL3MBTL1HPGD

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
US-5430149-A 5-[(4-bromophenyl)methyl]4-pyrimidinones SYNTHELABO (FR) 1995-07-04 US disclosed
US-5312920-A Process for preparing 4-pyrimidinones SYNTHELABO (FR) 1994-05-17 US disclosed