SCHEMBL7989797

SCHEMBL7989797

NC(=O)c1ccccc1NC(=S)Nc1cccc(Cl)c1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.76
MEN1 O00255 4/20 0.76
KDM4E B2RXH2 2/20 0.76
GAA P10253 1/20 0.60
NPC1 O15118 3/20 0.58
RAB9A P51151 2/20 0.58
ALDH1A1 P00352 2/20 0.56
MAPT P10636 1/20 0.56
ALOX12 P18054 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
IDO1 P14902 1/20 0.56
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C19 P33261 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL23831528 0.86 KDM4E (1.00) KMT2AMEN1KDM4EGAANPC1
SCHEMBL11009842 0.81 MEN1 (0.72) KMT2AMEN1KDM4ENPC1RAB9A
SCHEMBL7691719 0.80 KDM4E (0.50) KMT2AMEN1KDM4ENPC1RAB9A
SCHEMBL7989801 0.80 KMT2A (0.64) KMT2AMEN1ALDH1A1MAPTALOX12
SCHEMBL16566486 0.80 ALDH1A1 (0.69) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL6811419 0.79 MEN1 (0.64) KMT2AMEN1GAANPC1RAB9A
SCHEMBL26991 0.79 IDO1 (0.79) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL29481122 0.79 IDO1 (0.79) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL7981202 0.78 MAPK14 (0.56) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL5454961 0.77 MAOB (0.75) KMT2AMEN1NPC1RAB9AALDH1A1

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