SCHEMBL2006087

SCHEMBL2006087

O=C(c1cnc(-c2ccncn2)o1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX12 P18054 1/20 0.39
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37
PMP22 Q01453 1/20 0.37
HIF1A Q16665 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
VDR P11473 1/20 0.34
TP53 P04637 3/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.33
EPHX2 P34913 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
SCHEMBL2004795 0.94 MAPT (0.34) LMNAMAPTALDH1A1ALOX12CYP1A2
SCHEMBL2005302 0.92 L3MBTL1 (0.35) LMNAMAPTALDH1A1ALOX12CYP1A2
SCHEMBL2001338 0.91 LMNA (0.40) LMNAMAPTALDH1A1ALOX12CYP1A2
SCHEMBL2002764 0.91 PTGES2 (0.36) LMNAMAPTALDH1A1ALOX12CYP1A2
SCHEMBL2001446 0.91 FAAH (0.35) LMNAMAPTALDH1A1ALOX12CYP1A2
SCHEMBL2004143 0.90 LMNA (0.40) LMNAMAPTALDH1A1ALOX12CYP1A2
SCHEMBL2010615 0.90 LMNA (0.41) LMNAMAPTALDH1A1ALOX12CYP1A2
SCHEMBL2006911 0.89 PLA2G2A (0.37) LMNAMAPTALDH1A1CYP1A2CYP2D6
SCHEMBL2006472 0.88 ALOX5AP (0.36) LMNAMAPTSMN1; SMN2POLBALOX5AP
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