SCHEMBL15975110

SCHEMBL15975110

S=c1[nH]c(-c2cccc(Cc3c(-c4ccccc4)[nH]c4cc(C5CC5)ccc34)n2)no1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 7/20 0.33
TLR8 Q9NR97 6/20 0.33
TLR7 Q9NYK1 6/20 0.33
NR3C1 P04150 2/20 0.33
PDE10A Q9Y233 1/20 0.32
MDM4 O15151 1/20 0.32
MDM2 Q00987 1/20 0.32
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31
TUBA1C Q9BQE3 1/20 0.31
TUBB6 Q9BUF5 1/20 0.31

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
SCHEMBL11978661 0.90 NR3C1 (0.36) TLR9TLR8TLR7NR3C1PDE10A
SCHEMBL11979309 0.85 MDM4 (0.46) PDE10AMDM4MDM2TUBB4ATUBB
SCHEMBL11978277 0.83 TUBB4A (0.41) PDE10AMDM4MDM2TUBB4ATUBB
SCHEMBL15975192 0.80 TUBB4A (0.35) TLR9TLR8TLR7NR3C1TUBB4A
SCHEMBL11977713 0.79 TLR9 (0.34) TLR9TLR8TLR7NR3C1PDE10A
SCHEMBL11979314 0.78 PDE10A (0.42) PDE10AMDM4MDM2TUBB4ATUBB
SCHEMBL3708601 0.77 MTNR1A (0.39) NR3C1MTNR1AMTNR1B
SCHEMBL11978670 0.76 DGAT1 (0.41) TLR9TLR7NR3C1MTNR1AMTNR1B
SCHEMBL11979317 0.75 TUBB4A (0.38) PDE10AMDM4MDM2TUBB4ATUBB
SCHEMBL11978659 0.75 MDM4 (0.46) PDE10AMDM4MDM2TUBB4ATUBB

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-8815903-B2 Indole derivative and pharmacologically acceptable salt thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-08-26 US disclosed
US-8815903-B2 Indole derivative and pharmacologically acceptable salt thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-08-26 US disclosed