SCHEMBL7593322

SCHEMBL7593322

O=C(Nc1ccc(N(S)C(=O)NCCc2ccc(F)cc2)cc1C(F)(F)F)c1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.45
NPC1 O15118 5/20 0.45
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.41
TRPV1 Q8NER1 1/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 2/20 0.40
POLB P06746 1/20 0.40
ULK1 O75385 1/20 0.39
NTRK1 P04629 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
GRM4 Q14833 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL7569586 0.93 RAB9A (0.43) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL7568874 0.90 RAB9A (0.41) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL7575615 0.88 RAB9A (0.46) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL7595480 0.88 RAB9A (0.46) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL7777694 0.87 RAB9A (0.45) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL7777676 0.86 RAB9A (0.47) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL7783862 0.86 RAB9A (0.47) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL7599793 0.85 KMT2A (0.48) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL7782996 0.85 RAB9A (0.43) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL7785682 0.84 L3MBTL1 (0.51) RAB9ANPC1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1137632-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP claimed
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO claimed
EP-1144399-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED 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-1140913-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP disclosed
EP-1137632-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
EP-1137647-A1 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-2000034269-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-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES 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