SCHEMBL2424941

SCHEMBL2424941

O=C([C]1NCCN1)c1ccco1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 2/20 0.55
POLB P06746 2/20 0.55
THRB P10828 1/20 0.55
APEX1 P27695 1/20 0.55
RECQL P46063 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
MAPT P10636 1/20 0.50
PTPN1 P18031 1/20 0.47
PIM1 P11309 1/20 0.45
CHRNB2 P17787 3/20 0.42
CHRNA7 P36544 3/20 0.42
CHRNA4 P43681 3/20 0.42
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
AGTR1 P30556 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL181841 0.79 ALDH1A1 (0.74) KMT2AALDH1A1MEN1POLBTHRB
SCHEMBL28280303 0.75 MAPT (0.49) KMT2AALDH1A1MEN1POLBTHRB
SCHEMBL15354269 0.71 ALDH1A1 (1.00) KMT2AALDH1A1MEN1POLBTHRB
SCHEMBL19458027 0.71 POLB (0.63) KMT2AALDH1A1MEN1POLBTHRB
SCHEMBL11928188 0.71 KMT2A (0.57) KMT2AALDH1A1MEN1POLBTHRB
SCHEMBL29061555 0.70
SCHEMBL3953437 0.69 ALDH1A1 (0.73) KMT2AALDH1A1MEN1POLBTHRB
SCHEMBL15233 0.69 CES2 (1.00) KMT2AALDH1A1MEN1POLBTHRB
SCHEMBL2155972 0.69 CES2 (1.00) KMT2AALDH1A1MEN1POLBTHRB
Piperazine SCHEMBL635835 0.69 CES2 (0.52) KMT2AALDH1A1MEN1POLBTHRB

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
EP-1605752-B1 Sulfonamides for the treatment of congestive heart failure, their compositions and uses. CYTOKINETICS INC (US) 2011-09-14 EP disclosed