SCHEMBL7712110

SCHEMBL7712110

CCOC(=O)Nc1ccc(NC(=S)Nc2ccc(OC)c(Cl)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.58
MAPT P10636 5/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
HTT P42858 3/20 0.56
NPC1 O15118 1/20 0.56
GAA P10253 1/20 0.56
RAB9A P51151 1/20 0.56
ATM Q13315 1/20 0.56
POLB P06746 2/20 0.55
ACHE P22303 1/20 0.55
TSHR P16473 1/20 0.53
KDM4E B2RXH2 2/20 0.53
ALOX12 P18054 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 4/20 0.51
HPGD P15428 2/20 0.51
TP53 P04637 1/20 0.51
PKM P14618 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL6814730 0.87 ALDH1A1 (0.65) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL6815899 0.83 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL6816343 0.80 MAPT (0.68) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL10817064 0.80 SMN1; SMN2 (0.71) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7592685 0.80 ALDH1A1 (0.60) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL6814846 0.79 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL7592691 0.79 ALDH1A1 (0.62) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL9659046 0.78 KMT2A (0.70) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL6815553 0.78 SMN1; SMN2 (0.65) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL10494904 0.77 ALDH1A1 (0.65) ALDH1A1MAPTMEN1KMT2AHTT

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-6380243-B1 INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES- 6 AND -7, AND KAPOSI HERPESVIRUS. AMERICAN HOME PRODUCTS CORPORATION 2002-04-30 US disclosed