SCHEMBL1999823

SCHEMBL1999823

CCOc1ccc2c(c1)c(C(=O)c1ncc(-c3ccncc3)o1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 4/20 0.36
SLC26A4 O43511 1/20 0.36
POLB P06746 1/20 0.36
ALOX5AP P20292 3/20 0.34
ALOX5 P09917 1/20 0.34
F10 P00742 3/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 4/20 0.33
CYP2C9 P11712 4/20 0.33
EDNRB P24530 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 1/20 0.32
CHRNA7 P36544 1/20 0.32

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
SCHEMBL2008690 0.93 PLA2G2A (0.38) F2RL3SLC26A4POLBALOX5APALOX5
SCHEMBL2006766 0.93 F2RL3 (0.40) F2RL3SLC26A4POLBALOX5APLMNA
SCHEMBL2003814 0.92 F2RL3 (0.36) F2RL3SLC26A4POLBALOX5APALOX5
SCHEMBL2006841 0.92 CYP3A4 (0.37) F10LMNAMAPTCYP3A4CYP2C9
SCHEMBL2001878 0.91 ALOX5AP (0.42) SLC26A4ALOX5APALOX5LMNAMAPT
SCHEMBL2002426 0.91 SLC26A4 (0.34) F2RL3SLC26A4POLBALOX5APALOX5
SCHEMBL2005303 0.90 SLC26A4 (0.38) F2RL3SLC26A4POLBALOX5APALOX5
SCHEMBL2002947 0.90 CYP3A4 (0.35) SLC26A4POLBF10LMNAMAPT
SCHEMBL2005377 0.89 L3MBTL1 (0.36) F10LMNAMAPTCYP3A4CYP2C9
SCHEMBL2005391 0.89 F2RL3 (0.37) F2RL3LMNASMN1; SMN2

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