SCHEMBL2006431

SCHEMBL2006431

O=C(c1nnc(-c2ccncc2)o1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.50
LMNA P02545 2/20 0.50
PKM P14618 1/20 0.40
HTT P42858 2/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
PPARG P37231 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
SMPD1 P17405 1/20 0.35
USP2 O75604 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL2000262 0.94 MAPK1 (0.48) MAPK1LMNAPKMHTTMEN1
SCHEMBL2006683 0.93 MAPK1 (0.47) MAPK1LMNAPKMHTTMEN1
SCHEMBL2002364 0.92 MAPT (0.41) MAPK1LMNAMEN1KMT2AHSD17B10
SCHEMBL2002430 0.92 MAPK1 (0.46) MAPK1LMNAPKMMEN1KMT2A
SCHEMBL2005876 0.91 LMNA (0.50) MAPK1LMNAPKMHTTMEN1
SCHEMBL2002838 0.91 LMNA (0.45) MAPK1LMNAPKMKMT2AHSD17B10
SCHEMBL2004532 0.90 PTGES2 (0.42) MAPK1LMNAHTTHSD17B10CYP3A4
SCHEMBL2007666 0.90 MAPK1 (0.43) MAPK1LMNAPKMMEN1KMT2A
SCHEMBL2001856 0.88 LMNA (0.36) MAPK1LMNAMEN1KMT2AHSD17B10
SCHEMBL2002340 0.88 MAPK1 (0.55) MAPK1LMNAPKMHTTMEN1

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