SCHEMBL7982802

SCHEMBL7982802

COc1ccccc1C(=O)Nc1ccccc1NC(=S)NC(C)c1ccsc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
HPGD P15428 2/20 0.51
GAA P10253 5/20 0.49
TSHR P16473 2/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
RAB9A P51151 6/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
NPC1 O15118 2/20 0.47
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
POLB P06746 2/20 0.45
ALOX12 P18054 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
KCNMA1 Q12791 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL6815239 0.90 MAPT (0.53) ALDH1A1HPGDGAAMAPTMAPK1
SCHEMBL6815249 0.75 MAPT (0.47) ALDH1A1HPGDGAAMAPTMAPK1
SCHEMBL6814967 0.74 MEN1 (0.53) ALDH1A1MAPTRAB9AKMT2AMEN1
SCHEMBL6815550 0.73 ALDH1A1 (0.57) ALDH1A1HPGDGAAMAPTMAPK1
SCHEMBL6812750 0.72 ALDH1A1 (0.56) ALDH1A1HPGDGAAMAPTMAPK1
SCHEMBL6814554 0.72 ALDH1A1 (0.56) ALDH1A1HPGDGAAMAPTMAPK1
SCHEMBL6811806 0.72 ALDH1A1 (0.56) ALDH1A1HPGDGAAMAPTMAPK1
SCHEMBL6814533 0.72 ALDH1A1 (0.55) ALDH1A1HPGDGAAMAPTRAB9A
SCHEMBL31616406 0.72 LMNA (0.61) ALDH1A1HPGDGAAKMT2AMEN1
SCHEMBL21311334 0.72 KCNK3 (0.71) GAATSHRMAPTMAPK1HSD17B10

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-6271236-B1 PHENYL UREAS/THIOUREAS AS INHIBITORS OF INOSINE MONOPHOSPHATE DEHYDROGENASE ENZYME, USEFUL IN TREATING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, AND VARICELLA-ZOSTER VIRUS WYETH 2001-08-07 US disclosed