SCHEMBL8941571

SCHEMBL8941571

CC(C1CC(c2ccccc2)=NO1)N(O)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
USP2 O75604 1/20 0.42
ESR1 P03372 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 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
SCHEMBL8941576 0.90 ALOX5 (0.48) ALOX5CA1CA2LMNANPC1
SCHEMBL8941420 0.88 MIF (0.38) ALOX5CA1CA2LMNANPC1
SCHEMBL8941438 0.88 POLB (0.50) LMNAALDH1A1NPC1POLBRAB9A
SCHEMBL8941751 0.87 ALOX5 (0.53) ALOX5LMNAALDH1A1NPC1RAB9A
SCHEMBL8941414 0.86 F10 (0.42) ALOX5LMNAALDH1A1SMN1; SMN2CYP1A2
SCHEMBL8941440 0.84 HTT (0.47) ALOX5NPC1POLB
SCHEMBL6896344 0.76 CA1 (0.48) CA1CA2LMNAALDH1A1NPC1
SCHEMBL21066088 0.76 CA1 (0.46) CA1CA2PKM
SCHEMBL3989205 0.71 CA1 (0.69) CA1CA2LMNAALDH1A1NPC1
SCHEMBL17321472 0.70 CA1 (0.62) CA1CA2LMNANPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5552424-A Isoxazolines as antiinflammatory agents PFIZER INC. (US) 1996-09-03 US disclosed