SCHEMBL6048104

SCHEMBL6048104

NP(N)(=S)n1nnc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
THPO P40225 1/20 0.52
CYP4Z1 Q86W10 1/20 0.52
SLC9A1 P19634 9/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.47
KEAP1 Q14145 1/20 0.47
DGAT1 O75907 1/20 0.43
GRM2 Q14416 1/20 0.41
RAB9A P51151 2/20 0.40
KCNMA1 Q12791 1/20 0.40
TSHR P16473 2/20 0.39
MGAM O43451 1/20 0.39
F2 P00734 1/20 0.39

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
SCHEMBL6040967 0.86 ALDH1A1 (0.40) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6048144 0.81 MAPT (0.52) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9618513 0.73 POLB (0.52) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL30363379 0.73 POLB (0.52) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6048105 0.73 MAPT (0.47) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6041015 0.70 ALDH1A1 (0.40) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL94751 0.69 MAPT (1.00) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4634282 0.69 SLC9A1 (0.56) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL3072391 0.68 SLC9A1 (0.60) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL24744740 0.67 SLC9A1 (0.49) MAPTALDH1A1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1632253-A1 Material for odour control BKI Holding Corporation (US) 2006-03-08 EP disclosed
US-20060029567-A1 Material for odor control BKI HOLDING CORPORATION (US) 2006-02-09 US disclosed
EP-0119487-B1 NOVEL N-ALIPHATIC AND N,N-ALIPHATIC PHOSPHORIC TRIAMIDE UREASE INHIBITORS AND UREASE INHIBITED UREA BASED FERTILIZER COMPOSITIONS ALLIED CORPORATION (US) 1986-07-16 EP disclosed
US-4530714-A Capable of forming urea under use conditions ALLIED CORPORATION (US) 1985-07-23 US disclosed
EP-0119487-A1 Novel N-aliphatic and N,N-aliphatic phosphoric triamide urease inhibitors and urease inhibited urea based fertilizer compositions ALLIED CORPORATION (US) 1984-09-26 EP disclosed