SCHEMBL2003449

SCHEMBL2003449

O=C(c1ncc(-c2ccncn2)o1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX12 P18054 1/20 0.38
FAAH O00519 2/20 0.38
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
PMP22 Q01453 1/20 0.36
HIF1A Q16665 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SCD O00767 2/20 0.33
SCD5 Q86SK9 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
VDR P11473 1/20 0.33
CYP2C19 P33261 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
SCHEMBL2006267 0.94 FAAH (0.35) LMNAMAPTALDH1A1ALOX12FAAH
SCHEMBL2003836 0.91 FAAH (0.41) LMNAMAPTALDH1A1ALOX12FAAH
SCHEMBL2000665 0.91 L3MBTL1 (0.35) LMNAMAPTALDH1A1ALOX12FAAH
SCHEMBL2004961 0.90 FAAH (0.33) LMNAMAPTALDH1A1ALOX12FAAH
SCHEMBL2003600 0.90 LMNA (0.40) LMNAMAPTALDH1A1ALOX12CYP1A2
SCHEMBL2003432 0.90 LMNA (0.41) LMNAMAPTALDH1A1ALOX12FAAH
SCHEMBL2000914 0.90 FAAH (0.42) LMNAMAPTALDH1A1ALOX12FAAH
SCHEMBL2010346 0.88 PLA2G2A (0.37) LMNAMAPTALDH1A1FAAHCYP1A2
SCHEMBL2002426 0.88 SLC26A4 (0.34) LMNAMAPTFAAHCYP2C9CYP3A4
SCHEMBL2003403 0.88 LMNA (0.38) LMNAMAPTALDH1A1ALOX12CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed