SCHEMBL7981091

SCHEMBL7981091

COc1ccccc1C(=O)Nc1ccc(N(S)C(=O)Nc2ccc(C)c(Cl)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
POLB P06746 2/20 0.61
MAPT P10636 5/20 0.57
HTT P42858 3/20 0.57
ALDH1A1 P00352 2/20 0.57
GBA1 P04062 1/20 0.57
PNLIP P16233 1/20 0.56
KCNK3 O14649 3/20 0.53
KCNK9 Q9NPC2 3/20 0.53
CHRM5 P08912 1/20 0.52
CHRM1 P11229 1/20 0.52
CHRM3 P20309 1/20 0.52
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL6814952 0.92 PNLIP (0.64) KMT2AMEN1POLBMAPTHTT
SCHEMBL6815607 0.89 PNLIP (0.54) KMT2AMEN1POLBMAPTHTT
SCHEMBL6816221 0.88 MAPT (0.58) KMT2AMEN1POLBMAPTHTT
SCHEMBL12010969 0.87 KMT2A (0.78) KMT2AMEN1POLBMAPTHTT
SCHEMBL6811335 0.85 KMT2A (0.59) KMT2AMEN1POLBMAPTHTT
SCHEMBL6815152 0.84 KDM4E (0.55) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL7981088 0.83 KMT2A (0.69) KMT2AMEN1POLBMAPTHTT
SCHEMBL6816227 0.82 ALDH1A1 (0.52) KMT2APOLBMAPTHTTALDH1A1
SCHEMBL6815776 0.81 MEN1 (0.62) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL6815573 0.81 MAPT (0.62) KMT2AMEN1POLBMAPTHTT

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