SCHEMBL7569822

SCHEMBL7569822

COc1cccc(C(=O)Nc2ccc(N(S)C(=O)NCCc3ccc(F)cc3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
FPR2 P25090 1/20 0.52
SMN1; SMN2 Q16637 7/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
TP53 P04637 3/20 0.50
KDM4E B2RXH2 2/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 2/20 0.49
AR P10275 1/20 0.49
PKM P14618 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
HDAC1 Q13547 1/20 0.49
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL7598233 0.89 FPR2 (0.61) TDP1FPR2SMN1; SMN2NPC1RAB9A
SCHEMBL7596047 0.88 KMT2A (0.51) SMN1; SMN2NPC1RAB9ATP53KDM4E
SCHEMBL7566060 0.86 IDO1 (0.50) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL7782983 0.85 NPC1 (0.56) TDP1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL7568550 0.85 SIRT2 (0.49) KDM4EMEN1KMT2AALDH1A1
SCHEMBL7782535 0.84 MEN1 (0.55) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL7785673 0.84 MEN1 (0.55) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL7569819 0.84 KMT2A (0.64) TDP1FPR2SMN1; SMN2NPC1RAB9A
SCHEMBL7569897 0.82 MAPT (0.50) FPR2SMN1; SMN2NPC1RAB9ATP53
SCHEMBL7843705 0.81 MEN1 (0.53) FPR2SMN1; SMN2NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144399-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
EP-1144397-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
EP-1144399-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-17 EP 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-1137647-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
EP-1137633-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
WO-2000034268-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034261-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES 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