SCHEMBL6048112

SCHEMBL6048112

NSP(=O)(SN)n1cnc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.42
GGPS1 O95749 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 1/20 0.41
EGLN3 Q9H6Z9 1/20 0.41
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.38
TNF P01375 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
FGFR1 P11362 2/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
ROCK1 Q13464 1/20 0.36

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
SCHEMBL6040969 0.87 ALDH1A1 (0.37) FDPSGGPS1TDP1HTTEGLN3
SCHEMBL6048138 0.80 TDP1 (0.46) FDPSGGPS1TDP1HTTEGLN3
SCHEMBL1078812 0.77 FDPS (0.53) FDPSGGPS1TDP1HTTEGLN3
SCHEMBL13276281 0.74 HTT (0.46) FDPSGGPS1TDP1HTTEGLN3
SCHEMBL6048111 0.73 TDP1 (0.46) FDPSGGPS1TDP1HTTPOLB
SCHEMBL6041015 0.69 ALDH1A1 (0.40) FDPSGGPS1TDP1HTTPOLB
SCHEMBL6048105 0.69 MAPT (0.47) EGLN3KDM4EPOLBALDH1A1LMNA
SCHEMBL6041052 0.68 KMT2A (0.40) HTTALDH1A1LMNATSHRROCK1
SCHEMBL7068657 0.67 FDPS (0.43) FDPSGGPS1TDP1HTTEGLN3
SCHEMBL3673037 0.65 TDP1 (0.54) TDP1HTTEGLN3POLBTNF

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