SCHEMBL7638360

SCHEMBL7638360

CCN(CC)CCCOc1ccc(NC(=S)Nc2ccc(NC(C)=O)cc2)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.60
KDR P35968 2/20 0.52
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
MAPT P10636 4/20 0.49
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ACHE P22303 1/20 0.45

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
SCHEMBL6816125 0.90 RORC (0.58) RORCKDRL3MBTL1MEN1KMT2A
SCHEMBL6815377 0.89 RORC (0.66) RORCL3MBTL1MEN1KMT2AMAPT
SCHEMBL6814916 0.86 RORC (0.60) RORCKDRHTR2AHTR2CL3MBTL1
SCHEMBL6811046 0.85 RORC (0.64) RORCL3MBTL1MEN1KMT2AMAPT
SCHEMBL6816231 0.85 RORC (0.84) RORCL3MBTL1MEN1KMT2AMAPT
SCHEMBL7638372 0.84 RORC (0.55) RORCKDRHTR2AHTR2CMEN1
SCHEMBL7908567 0.83 RORC (0.61) RORCL3MBTL1MEN1KMT2AMAPT
SCHEMBL3865174 0.79 KDR (0.62) RORCKDRHTR2AHTR2CKDM4E
SCHEMBL7661021 0.79 POLB (0.50) RORCMEN1KMT2AMAPTALDH1A1
SCHEMBL6810838 0.78 RORC (0.61) RORCL3MBTL1MEN1KMT2AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6462055-B2 VIRICIDES WYETH 2002-10-08 US disclosed
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