SCHEMBL7566007

SCHEMBL7566007

CC(=O)Nc1cc(Cl)c(N)cc1O.COc1cc(NCc2ccccc2)c(N)cc1Cl.COc1cc(OCC(=O)OC(C)(C)C)c(N)cc1Cl.Nc1cc(O)c(NC(=O)c2ccccc2F)cc1Cl.Nc1ccc(NC(=O)c2ccccc2F)c(Cl)c1.O=C(O)c1ccco1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
KMT2A Q03164 6/20 0.39
KDM4E B2RXH2 6/20 0.39
MAPT P10636 8/20 0.37
SMN1; SMN2 Q16637 6/20 0.37
MEN1 O00255 4/20 0.37
NPC1 O15118 2/20 0.37
CYP1A2 P05177 2/20 0.37
RAB9A P51151 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GRM4 Q14833 1/20 0.37
GFER P55789 1/20 0.34
HPGD P15428 6/20 0.34
HSD17B10 Q99714 3/20 0.34
POLB P06746 3/20 0.34
TSHR P16473 2/20 0.34

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
SCHEMBL7785222 0.76 MAPT (0.44) ALDH1A1KMT2AMAPTSMN1; SMN2MEN1
SCHEMBL7573473 0.72 GFER (0.45) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL7785382 0.64 KMT2A (0.63) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL7911933 0.64 KMT2A (0.62) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL6810788 0.64 KCNMA1 (0.65) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL6816241 0.64 GAA (0.53) ALDH1A1KDM4ESMN1; SMN2NPC1CYP2C19
SCHEMBL7860654 0.64 KMT2A (0.53) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL7587983 0.62 KMT2A (0.45) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL6816299 0.62 MAPT (0.51) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL7783875 0.62 MAPT (0.56) ALDH1A1KMT2AKDM4EMAPTSMN1; 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 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