SCHEMBL7904759

SCHEMBL7904759

COc1cc(OC)c(NC(=S)NC2=CC[CH]C(Cl)=C2)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.60
MAPT P10636 8/20 0.60
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
LMNA P02545 3/20 0.60
HPGD P15428 2/20 0.60
HTT P42858 3/20 0.50
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 2/20 0.44
RAB9A P51151 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN11 Q06124 1/20 0.42

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
SCHEMBL7651702 0.89 ALDH1A1 (0.58) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL7665509 0.89 ALDH1A1 (0.58) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL7658699 0.85 ALDH1A1 (0.54) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL6814042 0.81 ALDH1A1 (0.56) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL5450055 0.74 ALDH1A1 (0.68) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL6815156 0.72 ALDH1A1 (0.66) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL6814960 0.72 ALDH1A1 (0.66) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL7659171 0.72 ALDH1A1 (0.55) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL7655541 0.72 ALDH1A1 (0.55) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL7653857 0.71 ALDH1A1 (0.52) ALDH1A1MAPTKMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6207715-B1 USEFUL IN THERAPY OF DISEASES ASSOCIATED WITH HERPES VIRUSES INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES-6 AND -7, AND KAPOSI HERPES VIRUS AMERICAN HOME PRODUCTS CORPORATION 2001-03-27 US disclosed