SCHEMBL7844833

SCHEMBL7844833

CO/N=C(\C)c1cc(F)ccc1F.CO/N=C(\C)c1ccc(Cl)c(F)c1.CO/N=C(\C)c1ccc(F)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A4 P31645 1/20 0.36
MDM2 Q00987 4/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
LMNA P02545 1/20 0.35
PTBP1 P26599 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7782578 0.96 RAB9A (0.45) RAB9AKDM4EALDH1A1MAPTHPGD
SCHEMBL7570657 0.89 RAB9A (0.39) RAB9AMAPTMEN1POLBKMT2A
SCHEMBL6819174 0.84 MAPT (0.48) RAB9AKDM4EALDH1A1MAPTHPGD
SCHEMBL6819179 0.84 MAPT (0.48) RAB9AKDM4EALDH1A1MAPTHPGD
SCHEMBL6811367 0.84 SLC6A4 (0.45) RAB9AKDM4EALDH1A1MAPTHPGD
SCHEMBL6811369 0.84 SLC6A4 (0.45) RAB9AKDM4EALDH1A1MAPTHPGD
SCHEMBL6819076 0.81 CES2 (0.47) RAB9AKDM4EALDH1A1MAPTHPGD
SCHEMBL6819080 0.81 CES2 (0.47) RAB9AKDM4EALDH1A1MAPTHPGD
SCHEMBL7868304 0.81 CA12 (0.34) RAB9AMAPTHPGDMEN1POLB
SCHEMBL7868613 0.78 NPFFR2 (0.38) RAB9AMAPTMEN1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1137647-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
WO-2000034268-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed