SCHEMBL3712734

SCHEMBL3712734

CSc1cccc(C=O)c1O[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ ERN1 O75460 3/20 0.38
▸ PRMT1 Q99873 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ ALOX5 P09917 1/20 0.33
▸ TLR2 O60603 1/20 0.33
▸ TLR1 Q15399 1/20 0.33
▸ TLR6 Q9Y2C9 1/20 0.33
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ ALDH1A1 P00352 5/20 0.32
▸ MAPT P10636 3/20 0.32
▸ TSHR P16473 1/20 0.32
▸ TRIM24 O15164 1/20 0.32
▸ TRIM33 Q9UPN9 1/20 0.32

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
SCHEMBL9760835 0.78 CA1 (0.58) CA1CA2ERN1SRCTLR2
SCHEMBL4730558 0.76 PRMT1 (0.55) CA1CA2ERN1PRMT1SRC
SCHEMBL5816489 0.76 ERN1 (0.57) CA1CA2ERN1TDP1ALDH1A1
SCHEMBL29517618 0.69 LMNA (0.55) ERN1ALOX5KMT2AMEN1LMNA
SCHEMBL173014 0.69 LMNA (0.55) ERN1ALOX5KMT2AMEN1LMNA
SCHEMBL16935337 0.68 LMNA (0.52) ERN1ALOX5KMT2AMEN1LMNA
SCHEMBL986274 0.67 ERN1 (0.55) CA1CA2ERN1ALOX5TLR2
SCHEMBL29441808 0.67 ALDH1A1 (0.53) ERN1SRCTLR2TLR1TLR6
SCHEMBL1942511 0.67 ALDH1A1 (0.53) ERN1SRCTLR2TLR1TLR6
Methyl Alcohol SCHEMBL29167320 0.67 ALDH1A1 (0.48) CA1CA2ERN1SRCTLR2

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
WO-2010092030-A1 TIME-TEMPERATURE INDICATOR BASED ON THIOALKYL AND THIOARYL SUBSTITUTED SPIROAROMATICS FRESHPOINT HOLDINGS SA (CH) 2010-08-19 — — WO disclosed
Send feedback