SCHEMBL6048138

SCHEMBL6048138

NP(N)(=O)n1cnc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
FDPS P14324 2/20 0.45
GGPS1 O95749 1/20 0.45
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
TNF P01375 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
FGFR1 P11362 2/20 0.40
EGLN3 Q9H6Z9 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
ROCK1 Q13464 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
SCHEMBL6041015 0.86 ALDH1A1 (0.40) TDP1FDPSGGPS1HTTPOLB
SCHEMBL6048111 0.81 TDP1 (0.46) TDP1FDPSGGPS1HTTPOLB
SCHEMBL1078812 0.81 FDPS (0.53) TDP1FDPSGGPS1HTTKDM4E
SCHEMBL6048112 0.80 FDPS (0.42) TDP1FDPSGGPS1HTTKDM4E
SCHEMBL13276281 0.78 HTT (0.46) TDP1FDPSGGPS1HTTPOLB
SCHEMBL7068657 0.74 FDPS (0.43) TDP1FDPSGGPS1HTTKDM4E
SCHEMBL6040967 0.70 ALDH1A1 (0.40) TDP1HTTPOLBTNFCYP11B1
SCHEMBL3673037 0.69 TDP1 (0.54) TDP1HTTPOLBTNFCYP11B1
SCHEMBL29544857 0.69 TDP1 (0.54) TDP1HTTPOLBTNFCYP11B1
SCHEMBL145442 0.69 TDP1 (0.54) TDP1HTTPOLBTNFCYP11B1

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 4 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
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