SCHEMBL7971386

SCHEMBL7971386

Nc1c(Cl)cccc1NC(=S)Nc1cc[c]cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 9/20 0.45
LMNA P02545 4/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL6819685 0.85 KMT2A (0.57) MAPK1ALDH1A1LMNAKDM4EMAPT
SCHEMBL6819680 0.79 ALDH1A1 (0.57) MAPK1ALDH1A1LMNAKDM4EMAPT
SCHEMBL6814823 0.75 MAPK1 (0.51) MAPK1ALDH1A1LMNAMAPTNPC1
SCHEMBL2961232 0.75 ALDH1A1 (0.45) MAPK1ALDH1A1LMNAKDM4EMAPT
SCHEMBL6815404 0.73 ALDH1A1 (0.63) MAPK1ALDH1A1LMNAKDM4EMAPT
SCHEMBL6819658 0.72 MAPK1 (0.71) MAPK1ALDH1A1LMNAKDM4EMAPT
SCHEMBL4050842 0.71 ALDH1A1 (0.74) ALDH1A1LMNAKDM4EMAPTNPC1
SCHEMBL2959759 0.71 LMNA (0.48) ALDH1A1LMNAKDM4EMAPTPOLB
SCHEMBL5446693 0.71 MAPK1 (0.75) MAPK1ALDH1A1LMNAKDM4EMAPT
SCHEMBL17956801 0.70 ALDH1A1 (0.68) MAPK1ALDH1A1LMNAKDM4EMAPT

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