SCHEMBL4743965

SCHEMBL4743965

O=C1CSC(c2cccc(C(F)(F)F)c2)N1c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MEN1 O00255 1/20 0.54
CA1 P00915 5/20 0.53
CA2 P00918 5/20 0.53
CA9 Q16790 5/20 0.53
ALDH1A1 P00352 3/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
GFER P55789 2/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
HTR7 P34969 1/20 0.48
PTGS2 P35354 1/20 0.44
HSP90AA1 P07900 1/20 0.44
CXCR5 P32302 1/20 0.44
APLNR P35414 1/20 0.44
CCR6 P51684 1/20 0.44

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
SCHEMBL4745893 0.89 CA1 (0.58) KMT2ASMN1; SMN2CA1CA2CA9
SCHEMBL4746738 0.89 GFER (0.59) KMT2ASMN1; SMN2MEN1CA1CA2
SCHEMBL4747985 0.87 CA1 (0.61) KMT2ACA1CA2CA9ALDH1A1
SCHEMBL4747953 0.82 SMN1; SMN2 (0.58) KMT2ASMN1; SMN2MEN1CA1CA2
SCHEMBL4743953 0.82 GFER (0.60) KMT2ASMN1; SMN2CA1CA2CA9
SCHEMBL4746657 0.79 CA1 (0.57) KMT2ASMN1; SMN2CA1CA2CA9
SCHEMBL4743942 0.79 HTR7 (0.59) KMT2ASMN1; SMN2MEN1CA1CA2
SCHEMBL4744293 0.79 GFER (0.56) KMT2ASMN1; SMN2CA1CA2CA9
SCHEMBL27881749 0.79 GFER (0.61) KMT2ACA1CA2CA9ALDH1A1
SCHEMBL4747274 0.77 HTR7 (0.53) KMT2ASMN1; SMN2CA1CA2CA9

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