SCHEMBL7981088

SCHEMBL7981088

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.69
MEN1 O00255 3/20 0.69
POLB P06746 2/20 0.69
MAPT P10636 6/20 0.64
ALDH1A1 P00352 5/20 0.64
HTT P42858 2/20 0.63
GBA1 P04062 1/20 0.63
S1PR1 P21453 1/20 0.60
PNLIP P16233 1/20 0.59
KCNK3 O14649 2/20 0.59
KCNK9 Q9NPC2 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
CHRM5 P08912 1/20 0.57
CHRM1 P11229 1/20 0.57
CHRM3 P20309 1/20 0.57
RAB9A P51151 3/20 0.56
GAA P10253 1/20 0.56
NPC1 O15118 1/20 0.56
HPGD P15428 1/20 0.56
LMNA P02545 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
SCHEMBL12010969 0.93 KMT2A (0.78) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL14096544 0.91 S1PR1 (0.72) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL6814943 0.91 RAB9A (0.68) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL6815091 0.87 PNLIP (0.57) KMT2AMEN1MAPTALDH1A1S1PR1
SCHEMBL6816211 0.87 MAPT (0.65) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL6811328 0.83 KMT2A (0.66) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL6815564 0.83 ALDH1A1 (0.71) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL7981091 0.83 KMT2A (0.61) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL6815144 0.83 MAPT (0.62) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL4254938 0.82 KCNK3 (0.71) KMT2AMEN1POLBMAPTALDH1A1

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