SCHEMBL7989801

SCHEMBL7989801

Nc1ccccc1NC(=S)Nc1cccc(Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
IDO1 P14902 1/20 0.62
MEN1 O00255 2/20 0.61
ALDH1A1 P00352 2/20 0.61
MAPT P10636 1/20 0.61
ALOX12 P18054 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57

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
SCHEMBL16566486 0.84 ALDH1A1 (0.69) KMT2AIDO1MEN1ALDH1A1MAPT
SCHEMBL26991 0.83 IDO1 (0.79) KMT2AIDO1MEN1ALDH1A1MAPT
SCHEMBL29481122 0.83 IDO1 (0.79) KMT2AIDO1MEN1ALDH1A1MAPT
SCHEMBL5454961 0.82 MAOB (0.75) KMT2AIDO1MEN1ALDH1A1MAPT
SCHEMBL13666033 0.82 MEN1 (0.70) KMT2AMEN1ALDH1A1MAPT
SCHEMBL16566574 0.82 ALDH1A1 (0.65) KMT2AMEN1ALDH1A1MAPTALOX12
SCHEMBL7989797 0.80 KMT2A (0.76) KMT2AIDO1MEN1ALDH1A1MAPT
SCHEMBL16566479 0.80 ALDH1A1 (0.70) KMT2AIDO1ALDH1A1
SCHEMBL6811430 0.80 MEN1 (0.71) KMT2AIDO1MEN1ALDH1A1MAPT
SCHEMBL7596527 0.78 ALDH1A1 (0.68) KMT2AIDO1MEN1ALDH1A1MAPT

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