SCHEMBL8596999

SCHEMBL8596999

CC(C)(C)n1nnc(-c2ccccc2I)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ABCG2 Q9UNQ0 4/20 0.35
AOC3 Q16853 2/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KCNN4 O15554 1/20 0.34
HPGD P15428 1/20 0.34
PDK2 Q15119 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
KDM1A O60341 1/20 0.32
ABCB1 P08183 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
DCTPP1 Q9H773 1/20 0.30
NFKB1 P19838 1/20 0.30
CASP3 P42574 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
SCHEMBL9429714 0.81 ABCG2 (0.36) POLBSMN1; SMN2ABCG2NPC1RAB9A
SCHEMBL27357705 0.80 POLB (0.38) POLBSMN1; SMN2ABCG2AOC3NPC1
SCHEMBL7015622 0.80 PBRM1 (0.41) POLBSMN1; SMN2ABCG2AOC3NPC1
SCHEMBL7020959 0.80 POLB (0.36) POLBSMN1; SMN2ABCG2AOC3NPC1
SCHEMBL9131392 0.79 POLB (0.38) POLBSMN1; SMN2ABCG2AOC3NPC1
SCHEMBL8788397 0.78 NPSR1 (0.55) SMN1; SMN2ABCG2NPC1RAB9AL3MBTL1
SCHEMBL9257119 0.78 POLB (0.40) POLBSMN1; SMN2ABCG2AOC3NPC1
SCHEMBL7020110 0.76 POLB (0.36) POLBSMN1; SMN2ABCG2AOC3NPC1
SCHEMBL9430611 0.76 ABCG2 (0.45) POLBSMN1; SMN2ABCG2AOC3NPC1
SCHEMBL6188044 0.76 GRM5 (0.39) POLBSMN1; SMN2ABCG2AOC3NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593332-B1 Phenylborinic acid derivatives, their preparation and their use as intermediates in syntheses SYNTHELABO (FR) 1998-01-14 EP disclosed
US-5382672-A Preparation of derivatives of benzeneborinic acid SYNTHELABO (FR) 1995-01-17 US disclosed
US-5371233-A 2-(tetrazol-5-yl)-1,1'-biphenyl derivatives, their preparation and their use as synthetic intermediates SYNTHELABO (FR) 1994-12-06 US disclosed
EP-0593332-A1 Phenylboronic acid derivatives, their preparation and their use as intermediates in syntheses SYNTHELABO (FR) 1994-04-20 EP disclosed
US-5278312-A Derivatives of benzeneborinic acid, preparation thereof and use thereof as synthetic intermediates SYNTHELABO (FR) 1994-01-11 US disclosed
EP-0550313-A1 2-(Tetranol-5-yl)-(1,1'-biphenyl)derivatives, their preparation and use as intermediates SYNTHELABO (FR) 1993-07-07 EP disclosed