SCHEMBL6246751

SCHEMBL6246751

C#Cc1c(C)nsc1NC(=O)Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 3/20 0.45
MAPK8 P45983 1/20 0.45
LMNA P02545 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 8/20 0.43
RAB9A P51151 1/20 0.43
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 1/20 0.41
GAA P10253 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
SCHEMBL8104093 0.85 KMT2A (0.49) KMT2AMAPTMEN1MAPK8LMNA
SCHEMBL7088107 0.76 ROCK2 (0.58) KMT2AMAPTMEN1LMNAL3MBTL1
SCHEMBL8094492 0.70 MAPK8 (0.41) MAPK8ALDH1A1HTTGAA
SCHEMBL4290852 0.69 ALDH1A1 (0.44) KMT2AMAPTMEN1LMNAL3MBTL1
SCHEMBL27874614 0.68 ALDH1A1 (0.55) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL5657581 0.67 MEN1 (0.70) KMT2AMAPTMEN1LMNAL3MBTL1
SCHEMBL8988041 0.67 POLB (0.57) KMT2AMAPTMEN1LMNAL3MBTL1
SCHEMBL6246258 0.67 SRD5A2 (0.58) KMT2AMAPTMEN1ALDH1A1RAB9A
SCHEMBL18177310 0.66 MAPT (0.61) KMT2AMAPTMEN1MAPK8LMNA
SCHEMBL31564998 0.65 MAPT (0.54) KMT2AMAPTMEN1LMNAALDH1A1

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
WO-2005040143-A1 5-(2-ARYLACETAMIDO)ISOTHIAZOLE COMPOUNDS II BASF AKTIENGESELLSCHAFT (DE) 2005-05-06 WO disclosed