SCHEMBL4743978

SCHEMBL4743978

O=C1CSC(c2cc([N+](=O)[O-])ccc2Cl)N1c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GFER P55789 4/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
ALDH1A1 P00352 6/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 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
SCHEMBL4743929 0.91 GFER (0.53) GFERCRHBPCRHR2ALDH1A1KMT2A
SCHEMBL4744275 0.87 GFER (0.49) GFERCRHBPCRHR2ALDH1A1KMT2A
SCHEMBL4743543 0.85 GFER (0.74) GFERCRHBPCRHR2KMT2AMEN1
SCHEMBL4747987 0.84 SMN1; SMN2 (0.67) GFERCRHBPCRHR2ALDH1A1KMT2A
SCHEMBL4743926 0.77 GFER (0.53) GFERCRHBPCRHR2ALDH1A1KMT2A
SCHEMBL4743525 0.76 CA1 (0.56) GFERALDH1A1KMT2AMEN1MAPT
SCHEMBL4743925 0.74 MAPT (0.52) GFERALDH1A1KMT2AMAPTCA1
SCHEMBL4747936 0.74 MAPT (0.54) GFERALDH1A1KMT2AMEN1MAPT
SCHEMBL4746811 0.74 MAPT (0.59) GFERALDH1A1KMT2AMAPTCA1
SCHEMBL4745876 0.74 CA1 (0.61) GFERALDH1A1KMT2AMEN1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008112674-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-09-18 WO claimed
WO-2008112674-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-09-18 WO disclosed
WO-2008112674-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-09-18 WO disclosed