SCHEMBL7599065

SCHEMBL7599065

O=C(Nc1ccc(N(S)C(=O)NCCc2ccc(F)cc2)cc1OCCN1CCOCC1)c1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCL3 P20749 6/20 0.49
KMT2A Q03164 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
QPCT Q16769 1/20 0.43
ALDH1A1 P00352 1/20 0.43
DDR2 Q16832 1/20 0.43
EGFR P00533 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HRH3 Q9Y5N1 4/20 0.42
HTR2A P28223 1/20 0.41
KCNH2 Q12809 1/20 0.41
ABCB1 P08183 1/20 0.41
MAPK14 Q16539 1/20 0.40

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
SCHEMBL6812252 0.85 ALDH1A1 (0.45) BCL3KMT2ARXFP1ALDH1A1DDR2
SCHEMBL7593301 0.85 PTPN1 (0.47) KMT2AALDH1A1NPC1RAB9A
SCHEMBL7599062 0.84 BCL3 (0.50) BCL3KMT2ARXFP1ALDH1A1EGFR
SCHEMBL7785682 0.84 L3MBTL1 (0.51) KMT2AALDH1A1NPC1RAB9A
SCHEMBL7594340 0.83 NPC1 (0.48) KMT2AALDH1A1NPC1RAB9A
SCHEMBL7782562 0.83 L3MBTL1 (0.41) KMT2AALDH1A1NPC1TP53RAB9A
SCHEMBL7599793 0.82 KMT2A (0.48) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7861397 0.82 RAB9A (0.40) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6815331 0.80 ALDH1A1 (0.43) BCL3KMT2ARXFP1ALDH1A1DDR2
SCHEMBL7575615 0.78 RAB9A (0.46) KMT2AALDH1A1NPC1TP53RAB9A

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 5 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-1137632-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP 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