SCHEMBL15097628

SCHEMBL15097628

COSc1cc([N+](=O)[O-])c(C(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.36
ALOX12 P18054 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
G6PD P11413 1/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
ALDH1A1 P00352 5/20 0.33
CYP3A4 P08684 3/20 0.33
PRKDC P78527 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HCAR3 P49019 1/20 0.33
HTT P42858 1/20 0.32
POLB P06746 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
SCHEMBL15097615 0.79 PDK1 (0.48) ALOX15ALOX12TDP1MEN1KMT2A
SCHEMBL15097485 0.76 ALDH1A1 (0.40) ALOX15TDP1KDM4EMAPTMEN1
SCHEMBL17614759 0.74 GPR35 (0.57) ALOX15ALOX12TDP1KDM4EMAPT
SCHEMBL11800575 0.74 ALDH1A1 (0.50) ALOX15ALOX12TDP1KDM4EMAPT
SCHEMBL15097502 0.69 ESR1 (0.39) TDP1MAPTMEN1KMT2AMAPK1
SCHEMBL15097484 0.69 ALDH1A1 (0.43) TDP1KDM4EMAPTMEN1KMT2A
SCHEMBL15097609 0.68 HTR2A (0.30)
SCHEMBL15097624 0.68
SCHEMBL15097611 0.68 PRKDC (0.35) TDP1KDM4EALDH1A1PRKDCTSHR
SCHEMBL15097625 0.68

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-20130177851-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-11 US disclosed