SCHEMBL9080807

SCHEMBL9080807

CNc1nccs1.[N-]=[N+]=[N-]

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 3/20 0.39
LMNA P02545 2/20 0.39
PKM P14618 2/20 0.39
PPARG P37231 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP2C9 P11712 1/20 0.39
EDNRA P25101 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ACP1 P24666 1/20 0.37

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
SCHEMBL9080816 0.92 RAB9A (0.38) FDPSRAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL84740 0.91
Hydrochloric Acid SCHEMBL1427626 0.89
Hydrochloric Acid SCHEMBL4053267 0.89
SCHEMBL28212112 0.74 PLA2G7 (0.40) RAB9ASMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL6991521 0.73
SCHEMBL12522326 0.71
SCHEMBL1369210 0.71 ALDH1A1 (0.50) FDPSRAB9ASMN1; SMN2ALDH1A1NPC1
Isophthalic Acid SCHEMBL27829644 0.69 NPC1 (0.55) RAB9ASMN1; SMN2ALDH1A1NPC1LMNA
Nitrobenzene SCHEMBL27591249 0.69 NPC1 (0.55) RAB9ASMN1; SMN2ALDH1A1NPC1LMNA

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-0737203-A1 STEROIDAL GLYCOSIDES PFIZER INC. (US) 1996-10-16 EP disclosed
EP-0737202-A1 HYPOCHOLESTEROLEMIC AGENTS PFIZER INC. (US) 1996-10-16 EP disclosed
WO-1995018143-A1 HYPOCHOLESTEROLEMIC AGENTS PFIZER INC. (US) 1995-07-06 WO disclosed
WO-1995018144-A1 STEROIDAL GLYCOSIDES PFIZER INC. (US) 1995-07-06 WO disclosed