SCHEMBL7599062

SCHEMBL7599062

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL3 P20749 4/20 0.50
RXFP1 Q9HBX9 1/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 2/20 0.49
EPHX2 P34913 2/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KCNH2 Q12809 2/20 0.47
HTR2A P28223 1/20 0.47
EGFR P00533 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
GAA P10253 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL6812248 0.84 RXFP1 (0.49) BCL3RXFP1LMNAKMT2AEPHX2
SCHEMBL7593296 0.84 KMT2A (0.53) KMT2AKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL7599065 0.84 BCL3 (0.49) BCL3RXFP1KMT2ANPC1TP53
SCHEMBL7785679 0.83 KMT2A (0.63) KMT2AKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL7594338 0.82 RAB9A (0.53) LMNAKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7782560 0.82 KMT2A (0.49) KMT2AKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL7599785 0.81 GAA (0.61) KMT2AKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL7861394 0.81 KMT2A (0.48) LMNAKMT2AKDM4ENPC1TP53
SCHEMBL6814425 0.79 EGFR (0.48) BCL3RXFP1LMNAEPHX2NPC1
SCHEMBL7784442 0.78 GAA (0.64) LMNAKMT2AKDM4ENPC1RAB9A

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