SCHEMBL6048111

SCHEMBL6048111

NP(N)(=S)n1cnc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
HTT P42858 2/20 0.44
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
POLB P06746 1/20 0.41
TNF P01375 1/20 0.41
LMNA P02545 3/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
FGFR1 P11362 1/20 0.40
ROCK1 Q13464 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 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) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL6048138 0.81 TDP1 (0.46) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL1078812 0.73 FDPS (0.53) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL6048112 0.73 FDPS (0.42) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL13276281 0.70 HTT (0.46) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL6041015 0.70 ALDH1A1 (0.40) TDP1HTTPOLBALDH1A1GAA
SCHEMBL29544857 0.69 TDP1 (0.54) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL145442 0.69 TDP1 (0.54) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL7196401 0.68 TDP1 (0.58) TDP1HTTCYP11B1CYP11B2POLB
Hydrochloric Acid SCHEMBL11255423 0.67 TDP1 (0.52) TDP1HTTCYP11B1CYP11B2POLB

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