SCHEMBL8345708

SCHEMBL8345708

Cc1ccccc1NC(=O)C(N)C(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
POLB P06746 2/20 0.54
HPGD P15428 3/20 0.53
ALDH1A1 P00352 1/20 0.53
PDK1 Q15118 1/20 0.50
PDK2 Q15119 1/20 0.50
PDK3 Q15120 1/20 0.50
PDK4 Q16654 1/20 0.50
PGR P06401 1/20 0.50
SCN1A P35498 1/20 0.50
SCN2A Q99250 1/20 0.50
SCN3A Q9NY46 1/20 0.50
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
DDX3X O00571 2/20 0.49
ITGB3 P05106 1/20 0.47
ITGB1 P05556 1/20 0.47
ITGAV P06756 1/20 0.47

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
Formic Acid SCHEMBL6719239 0.94 POLB (0.49) RAB9ANPC1POLBHPGDALDH1A1
SCHEMBL6718890 0.85 RAB9A (0.53) RAB9ANPC1POLBHPGDALDH1A1
SCHEMBL6717651 0.81 NPC1 (0.56) RAB9ANPC1POLBHPGDALDH1A1
SCHEMBL8347817 0.81 NPC1 (0.56) RAB9ANPC1POLBHPGDALDH1A1
SCHEMBL6715814 0.81 NPC1 (0.56) RAB9ANPC1POLBHPGDALDH1A1
SCHEMBL8344357 0.81 NPC1 (0.60) RAB9ANPC1POLBHPGDALDH1A1
SCHEMBL8346804 0.81 NPC1 (0.60) RAB9ANPC1POLBHPGDALDH1A1
SCHEMBL8396733 0.77 MAPT (0.57) RAB9ANPC1POLBHPGDALDH1A1
SCHEMBL5186841 0.77 MDM4 (0.67) RAB9ANPC1POLBHPGDALDH1A1
SCHEMBL6718773 0.77 RAB9A (0.55) RAB9ANPC1POLBHPGDALDH1A1

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-2004022534-A1 ARYLGLYCINE DERIVATIVES FOR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 WO disclosed