SCHEMBL7914845

SCHEMBL7914845

CS(=O)(=O)Nc1ccc(NC(=S)NC2=CC[CH]C=C2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
ALDH1A1 P00352 12/20 0.39
MEN1 O00255 7/20 0.39
KMT2A Q03164 7/20 0.39
MAPT P10636 7/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.37
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
THRB P10828 1/20 0.36
ALOX12 P18054 1/20 0.36
PPIA P62937 1/20 0.35
PKM P14618 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
SCHEMBL7166721 0.81 MAPT (0.51) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL7638965 0.80 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL7159183 0.78 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL7645141 0.78 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL7163887 0.78 KMT2A (0.64) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL7166469 0.78 MEN1 (0.51) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL6815219 0.78 ALDH1A1 (0.50) GRIN1GRIN2BALDH1A1MEN1KMT2A
SCHEMBL7914993 0.77 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL7911948 0.77 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL7662520 0.77 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AMAPTLMNA

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