SCHEMBL7955009

SCHEMBL7955009

[CH2]CCNC(=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.66
NPC1 O15118 2/20 0.66
POLB P06746 1/20 0.64
TP53 P04637 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
GAA P10253 2/20 0.61
HTT P42858 1/20 0.61
NR1H4 Q96RI1 1/20 0.59
KMT2A Q03164 3/20 0.59
ROCK2 O75116 1/20 0.59
MAPT P10636 1/20 0.59
MEN1 O00255 1/20 0.58
TSHR P16473 1/20 0.57
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
HDAC3 O15379 1/20 0.56
HDAC2 Q92769 1/20 0.56

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
SCHEMBL7945931 0.91 POLB (0.69) RAB9ANPC1POLBTP53SMN1; SMN2
SCHEMBL7952907 0.90 POLB (0.71) RAB9ANPC1POLBTP53SMN1; SMN2
SCHEMBL7955082 0.88 POLB (0.74) RAB9ANPC1POLBTP53SMN1; SMN2
SCHEMBL7959710 0.87 NR1H4 (0.62) RAB9ANPC1POLBTP53SMN1; SMN2
SCHEMBL23120215 0.86 SMPD1 (0.71) RAB9ANPC1POLBTP53SMN1; SMN2
SCHEMBL11761148 0.86 POLB (0.84) RAB9ANPC1POLBTP53SMN1; SMN2
SCHEMBL930908 0.86 ROCK2 (0.76) RAB9ANPC1POLBTP53SMN1; SMN2
SCHEMBL4256369 0.84 RAB9A (0.66) RAB9ANPC1POLBTP53SMN1; SMN2
SCHEMBL23120245 0.84 RAB9A (0.66) RAB9ANPC1POLBTP53SMN1; SMN2
SCHEMBL15596029 0.84 RAB9A (0.66) RAB9ANPC1POLBTP53SMN1; SMN2

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
US-6245779-B1 ANALGESICS; ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-06-12 US disclosed
CN-1262685-A Naphthyridine derivatives OTSUKA PHARMA CO LTD (JP) 2000-08-09 CN disclosed
EP-0997463-A1 NAPHTHYRIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-05-03 EP disclosed
US-4342875-A STABILIZERS FOR OLEFIN POLYMERS CINCINNATI-MILACRON, INC. (US) 1982-08-03 US disclosed