SCHEMBL5642804

SCHEMBL5642804

CN(Cc1ccc(Cl)cc1Cl)C(=O)c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
ERCC1 P07992 1/20 0.45
ERCC4 Q92889 1/20 0.45
NR4A1 P22736 1/20 0.45
NR4A2 P43354 1/20 0.45
NR4A3 Q92570 1/20 0.45
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
PYCR1 P32322 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL5644342 0.90 SLC6A2 (0.55) MEN1KMT2ASLC6A2SLC6A4ERCC1
SCHEMBL5642176 0.87 ERCC1 (0.48) MEN1KMT2ASLC6A2SLC6A4ERCC1
SCHEMBL5643090 0.83 CRHBP (0.47) MEN1KMT2AHPGDSLC6A2SLC6A4
SCHEMBL5643681 0.82 ERCC1 (0.44) MEN1KMT2ASLC6A2SLC6A4ERCC1
SCHEMBL5644680 0.82 POLB (0.47) MEN1KMT2AALDH1A1SLC6A2SLC6A4
SCHEMBL14456734 0.81 KMT2A (0.51) MEN1KMT2AALDH1A1HPGDSLC6A2
SCHEMBL5644473 0.81 RIPK1 (0.51) MEN1KMT2AALDH1A1HPGDGAA
SCHEMBL5644480 0.79 KMT2A (0.79) MEN1KMT2AALDH1A1HPGDGAA
SCHEMBL14456958 0.79 CRHBP (0.42) MEN1KMT2AALDH1A1HPGDSLC6A2
SCHEMBL14456972 0.79 MEN1 (0.55) MEN1KMT2ASLC6A4NR4A1NR4A2

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-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 US disclosed