SCHEMBL7914993

SCHEMBL7914993

CN(C)c1ccc(NC(=S)NC2=CC[CH]C=C2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.40
MAPT P10636 9/20 0.40
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
HTT P42858 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 4/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
ALOX12 P18054 2/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
IDO1 P14902 1/20 0.36
PKM P14618 1/20 0.35
ACHE P22303 1/20 0.35
PPIA P62937 1/20 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
SCHEMBL7166721 0.85 MAPT (0.51) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7638965 0.84 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7645141 0.81 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7159183 0.81 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7166469 0.81 MEN1 (0.51) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7163887 0.81 KMT2A (0.64) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7911948 0.81 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7161939 0.79 ALDH1A1 (0.37) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7915002 0.78 CYP3A4 (0.41) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7914845 0.77 GRIN1 (0.39) 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-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