SCHEMBL2801548

SCHEMBL2801548

CCCC[Sn](CCCC)(CCCC)c1c[nH]c(Cc2ccccc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.37
GAA P10253 1/20 0.36
TLR8 Q9NR97 2/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
POLB P06746 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
ALOX12 P18054 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
ADORA2A P29274 3/20 0.34
ADORA1 P30542 2/20 0.34
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
PDE5A O76074 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL2379828 0.75
SCHEMBL7657253 0.75 TLR8 (0.40) TAAR1GAATLR8NR1H2NR1H3
SCHEMBL15147961 0.74 KCNH2 (0.45) TAAR1TLR8POLBKMT2A
SCHEMBL28016575 0.72 KCNH2 (0.47) TLR8POLBNPC1ALDH1A1KMT2A
Ammonia Solution, Strong SCHEMBL27918102 0.71 KCNH2 (0.46) TLR8POLBNPC1ALDH1A1KMT2A
SCHEMBL316101 0.71 TAAR1 (0.48) TAAR1GAANR1H2NR1H3POLB
SCHEMBL7665114 0.71 TAAR1 (0.42) TAAR1GAANR1H2NR1H3POLB
SCHEMBL27900446 0.70 MEN1 (0.43) TAAR1GAATLR8POLBALDH1A1
SCHEMBL7686703 0.70
SCHEMBL27835410 0.69 HSD11B1 (0.49) POLBNPC1RAB9ASMN1; SMN2KMT2A

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-2225243-A2 DERIVATIVES OF N-HETEROCYCLIC-6-HETEROCYCLIC-IMIDAZOÝL,2- A¨PYRIDINE-2-CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF Sanofi-Aventis (FR) 2010-09-08 EP disclosed
WO-2009106751-A2 DERIVATIVES OF N-HETEROCYCLIC-6-HETEROCYCLIC-IMIDAZO[L,2- A]PYRIDINE-2-CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-09-03 WO disclosed