SCHEMBL7782996

SCHEMBL7782996

N#Cc1cc(N(S)C(=O)NCCc2ccc(F)cc2)ccc1NC(=O)c1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
NPC1 O15118 4/20 0.43
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAOB P27338 1/20 0.40
LMNA P02545 3/20 0.39
HTT P42858 1/20 0.39
ULK1 O75385 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
BCL3 P20749 1/20 0.36
POLB P06746 1/20 0.36
MAPK10 P53779 1/20 0.36

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
SCHEMBL7783085 0.94 RAB9A (0.43) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL7570583 0.93 RAB9A (0.42) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL7595480 0.86 RAB9A (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL7575615 0.86 RAB9A (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL7861397 0.85 RAB9A (0.40) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL7777694 0.85 RAB9A (0.45) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL7593322 0.85 RAB9A (0.45) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL7783862 0.85 RAB9A (0.47) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL7777676 0.85 RAB9A (0.47) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL7600498 0.84 RAB9A (0.42) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA

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 12 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-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-1137632-A1 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
EP-1137633-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
WO-2000034238-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-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