SCHEMBL7783082

SCHEMBL7783082

COc1ccc(CCNC(=O)N(S)c2cc[c]cc2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 5/20 0.51
MEN1 O00255 2/20 0.50
GAA P10253 2/20 0.50
NAMPT P43490 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL6815481 0.85 GAA (0.55) CA12CA1CA2CA9MAPT
SCHEMBL7588977 0.84 SMN1; SMN2 (0.55) SMN1; SMN2KMT2AALDH1A1GAA
SCHEMBL7588694 0.83 RAB9A (0.51) CA1CA2CA9SMN1; SMN2ALDH1A1
SCHEMBL3302246 0.81 CA12 (0.52) CA12CA1CA2CA9MAPT
SCHEMBL7860613 0.80 MTNR1A (0.56) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL7599731 0.78 CNR1 (0.42) MAPTSMN1; SMN2KMT2AALDH1A1
SCHEMBL7594776 0.78 HPGD (0.46) SMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL9781763 0.77 CA12 (0.66) CA12CA1CA2CA9MAPT
SCHEMBL7589803 0.77 CA1 (0.47) CA12CA1CA2CA9MAPT
SCHEMBL7585551 0.76 CNR1 (0.46) MAPTALDH1A1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1137633-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
WO-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed