SCHEMBL7994930

SCHEMBL7994930

O=[N+]([O-])c1ccc(CCOc2ccccn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
CYP19A1 P11511 5/20 0.49
CYP11B1 P15538 4/20 0.49
CYP11B2 P19099 4/20 0.49
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
KLF5 Q13887 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
KCNH2 Q12809 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CNR2 P34972 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL4485819 0.84 MAPT (0.56) MAPTL3MBTL1KCNH2ALDH1A1GAA
SCHEMBL4431238 0.79 CYP11B1 (0.49) CYP11B1CYP11B2RAB9ANPC1SMN1; SMN2
SCHEMBL14967225 0.76 NPC1 (0.44) CYP11B1CYP11B2RAB9ANPC1SMN1; SMN2
SCHEMBL7998441 0.76 NPC1 (0.54) CYP19A1RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL6500018 0.76 POLB (0.58) MAPTCYP19A1CYP11B1CYP11B2RAB9A
SCHEMBL11292187 0.75 KCNH2 (0.61) MAPTRAB9ANPC1SMN1; SMN2KCNH2
SCHEMBL3502988 0.75 LMNA (0.60) MAPTRAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL14967550 0.75 POLB (0.55) ALDH1A1POLB
SCHEMBL11280948 0.74 GAA (0.48) MAPTCYP19A1CYP11B1CYP11B2RAB9A
SCHEMBL11175467 0.74 MAPT (0.54) MAPTCYP19A1CYP11B1CYP11B2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024168196-A1 SYSTEMS AND METHODS FOR ENZYMATIC SYNTHESIS OF POLYNUCLEOTIDES CONTAINING NON-STANDARD NUCLEOTIDE BASEPAIRS UNIVERSITY OF WASHINGTON (US) 2024-08-15 WO disclosed
WO-2001077077-A1 SUBSTITUTED (HETERO)ARYL CARBOXAMIDE DERIVATIVES AS MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) AND APOLIPOPROTEIN B (APO B) SECRETION NOVARTIS AG (CH) 2001-10-18 WO disclosed