SCHEMBL7597339

SCHEMBL7597339

CCC(=O)Nc1ccc(N(S)C(=O)NCCc2ccc(F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
HPGD P15428 1/20 0.49
CNR1 P21554 3/20 0.48
FPR2 P25090 1/20 0.48
MAPT P10636 4/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 4/20 0.46
HTT P42858 1/20 0.46
POLB P06746 2/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45
LMNA P02545 1/20 0.43
ALOX12 P18054 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL7566626 0.88 POLB (0.55) KMT2AMEN1HPGDCNR1FPR2
SCHEMBL7784349 0.85 GAA (0.54) KMT2AMEN1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL7785673 0.85 MEN1 (0.55) KMT2AMEN1CNR1MAPTALDH1A1
SCHEMBL7782535 0.85 MEN1 (0.55) KMT2AMEN1CNR1MAPTALDH1A1
SCHEMBL7843705 0.82 MEN1 (0.53) KMT2AMEN1CNR1FPR2MAPT
SCHEMBL7782983 0.82 NPC1 (0.56) KMT2AMEN1CNR1MAPTALDH1A1
SCHEMBL7567764 0.81 ESRRG (0.52) KMT2AMEN1CNR1MAPTALDH1A1
SCHEMBL7574137 0.80 NAMPT (0.57) KMT2AMEN1CNR1MAPTALDH1A1
SCHEMBL6816350 0.80 LMNA (0.57) KMT2AMEN1CNR1MAPTALDH1A1
SCHEMBL7569047 0.80 CNR1 (0.59) KMT2AMEN1CNR1MAPTALDH1A1

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