SCHEMBL7784444

SCHEMBL7784444

COc1cc(NC(=O)c2ccccc2F)ccc1N(S)C(=O)NCCc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
HPGD P15428 2/20 0.49
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 3/20 0.48
LMNA P02545 1/20 0.46
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
TDP1 Q9NUW8 3/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
POLB P06746 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
FPR2 P25090 1/20 0.43
GAA P10253 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL7566806 0.88 LMNA (0.48) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL7784315 0.88 KMT2A (0.50) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL7569442 0.86 LMNA (0.48) NPC1RAB9AHPGDMAPTSMN1; SMN2
SCHEMBL7863607 0.85 LMNA (0.46) NPC1RAB9AHPGDMAPTSMN1; SMN2
SCHEMBL7572931 0.84 KMT2A (0.48) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL7569897 0.82 MAPT (0.50) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL7599793 0.82 KMT2A (0.48) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL6816350 0.82 LMNA (0.57) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL7161986 0.81 RAB9A (0.48) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL6816275 0.81 HPGD (0.50) NPC1RAB9AHPGDMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140913-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 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
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-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO 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-2000034268-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