SCHEMBL3722677

SCHEMBL3722677

CSOc1cc([N+](=O)[O-])ccc1C=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.49
HTT P42858 4/20 0.45
ALDH1A1 P00352 8/20 0.43
MAPT P10636 4/20 0.43
TDP1 Q9NUW8 4/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
PRKDC P78527 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTPN1 P18031 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
TXNRD1 Q16881 1/20 0.39
TXNRD3 Q86VQ6 1/20 0.39
TXNRD2 Q9NNW7 1/20 0.39
PKM P14618 1/20 0.38
TTR P02766 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL30320420 0.82 ERN1 (0.62) ERN1HTTALDH1A1MAPTTDP1
SCHEMBL286441 0.82 ERN1 (0.62) ERN1HTTALDH1A1MAPTTDP1
SCHEMBL27787985 0.79 ERN1 (0.53) ERN1HTTALDH1A1MAPTTDP1
SCHEMBL8329402 0.79 ERN1 (0.57) ERN1HTTALDH1A1MAPTKDM4E
SCHEMBL1669597 0.78 ALDH1A1 (0.50) ERN1HTTALDH1A1MAPTKMT2A
SCHEMBL14384260 0.75 ERN1 (0.49) ERN1HTTALDH1A1MAPTTDP1
SCHEMBL14035620 0.75 MAPT (0.57) ERN1HTTALDH1A1MAPTTDP1
SCHEMBL5655380 0.75 ALDH1A1 (0.47) ERN1HTTALDH1A1MAPTTDP1
SCHEMBL8964120 0.74 LMNA (0.56) ERN1ALDH1A1MAPTTDP1KDM4E
SCHEMBL28077654 0.74 KMT2A (0.59) ERN1HTTALDH1A1MAPTKDM4E

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