SCHEMBL7717487

SCHEMBL7717487

CC(C)(C)c1ccc(C(=O)Nc2ccc(N)cc2)o1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.70
KLK7 P49862 1/20 0.53
LMNA P02545 3/20 0.49
POLB P06746 2/20 0.49
PKM P14618 2/20 0.49
MEN1 O00255 1/20 0.49
APEX1 P27695 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
IMPDH2 P12268 1/20 0.48
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
TP53 P04637 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MAPT P10636 2/20 0.44
PTGS1 P23219 2/20 0.44
ALDH1A1 P00352 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
SCHEMBL2404879 0.84 MITF (0.72) MITFKLK7LMNAMEN1KMT2A
SCHEMBL21661826 0.84 LMNA (0.62) KLK7LMNAPOLBPKMMEN1
SCHEMBL18161382 0.82 MITF (0.66) MITFKLK7LMNAPOLBKMT2A
SCHEMBL6816157 0.81 MITF (0.65) MITFKLK7LMNAPOLBPKM
SCHEMBL7777752 0.80 KLK7 (0.83) KLK7LMNAPOLBPKMMEN1
SCHEMBL7783279 0.79 MITF (0.47) MITFMEN1KMT2ATDP1RAB9A
SCHEMBL7718014 0.76 RAB9A (0.70) LMNAPOLBPKMMEN1APEX1
SCHEMBL7718030 0.76 RAB9A (0.54) KLK7LMNAPOLBPKMMEN1
SCHEMBL12321294 0.76 MITF (0.52) MITFKLK7LMNAPOLBPKM
SCHEMBL12376581 0.75 MITF (0.56) MITFKLK7POLBIMPDH2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144397-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
US-6380243-B1 INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES- 6 AND -7, AND KAPOSI HERPESVIRUS. AMERICAN HOME PRODUCTS CORPORATION 2002-04-30 US disclosed
EP-1144397-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-17 EP disclosed
EP-1137645-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
US-6255349-B1 PREVENTION REPRODUCTION; VIRICIDES AMERICAN HOME PRODUCTS CORPORATION 2001-07-03 US disclosed
WO-2000034260-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed