SCHEMBL7434954

SCHEMBL7434954

O=CC(=O)Nc1ccccc1[S]

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ LMNA P02545 3/20 0.41
▸ MDM2 Q00987 1/20 0.41
▸ MMP1 P03956 6/20 0.41
▸ MMP2 P08253 6/20 0.41
▸ MMP9 P14780 6/20 0.41
▸ EGFR P00533 4/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HPGD P15428 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ LPAR2 Q9HBW0 1/20 0.37
▸ LPAR3 Q9UBY5 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3690870 0.82 TGM2 (0.55) MAPTKDM4EPKMLMNAMMP1
SCHEMBL27479697 0.80 NPC1 (0.64) MAPTKDM4ELMNAMMP1MMP2
SCHEMBL8641397 0.78 MMP1 (0.61) MAPTKDM4EPKMLMNAMMP1
SCHEMBL11445329 0.78 MAPT (0.43) MAPTKDM4EPKMLMNAMDM2
SCHEMBL28909391 0.76 MAPK1 (0.58) LMNAALDH1A1NPC1RAB9AHPGD
SCHEMBL2968579 0.75 ALDH1A1 (0.67) KDM4ELMNAALDH1A1NPC1RAB9A
SCHEMBL1524281 0.74 CETP (0.61) MAPTKDM4ELMNAALDH1A1RAB9A
SCHEMBL8980104 0.74 MAPT (0.54) MAPTPKMLMNAALDH1A1MEN1
SCHEMBL17927291 0.73 MDM4 (0.58) MAPTPKMNPC1RAB9AHPGD
SCHEMBL8980054 0.73 ALDH1A1 (0.70) MAPTKDM4EPKMALDH1A1HPGD

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
WO-2001087851-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIMIDINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 — — WO claimed
Send feedback