SCHEMBL7986700

SCHEMBL7986700

FC(F)(F)c1cccc(NC(=S)Nc2cc[c]cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.69
MAPT P10636 8/20 0.69
GAA P10253 7/20 0.69
NPSR1 Q6W5P4 5/20 0.69
TDP1 Q9NUW8 4/20 0.69
SMN1; SMN2 Q16637 2/20 0.67
MEN1 O00255 2/20 0.67
CYP1A2 P05177 2/20 0.67
CYP3A4 P08684 2/20 0.67
CYP2D6 P10635 2/20 0.67
CYP2C19 P33261 2/20 0.67
KMT2A Q03164 2/20 0.67
IDO1 P14902 1/20 0.66
L3MBTL1 Q9Y468 3/20 0.65
KDM4E B2RXH2 2/20 0.65
HTT P42858 1/20 0.60
LMNA P02545 3/20 0.58
POLB P06746 1/20 0.58
CYP2C9 P11712 1/20 0.58
XBP1 P17861 1/20 0.58

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
SCHEMBL7175227 0.89 MAPT (0.86) ALDH1A1MAPTGAANPSR1TDP1
SCHEMBL22567938 0.87 MAPT (0.78) ALDH1A1MAPTGAANPSR1TDP1
SCHEMBL7569356 0.86 MAPT (0.57) ALDH1A1MAPTGAANPSR1TDP1
SCHEMBL22024982 0.84 SMN1; SMN2 (0.75) ALDH1A1MAPTGAANPSR1TDP1
SCHEMBL22567749 0.84 MAPT (0.78) ALDH1A1MAPTGAANPSR1TDP1
SCHEMBL11007615 0.82 MAPT (0.69) ALDH1A1MAPTGAANPSR1TDP1
SCHEMBL6816145 0.82 IDO1 (0.70) ALDH1A1MAPTGAANPSR1TDP1
SCHEMBL24169274 0.80 MAPT (1.00) ALDH1A1MAPTGAANPSR1TDP1
SCHEMBL22065211 0.80 MAPT (0.72) ALDH1A1MAPTGAANPSR1TDP1
SCHEMBL30387868 0.80 MAPT (1.00) ALDH1A1MAPTGAANPSR1TDP1

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