SCHEMBL15097485

SCHEMBL15097485

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 2/20 0.40
GPR35 Q9HC97 2/20 0.36
NPSR1 Q6W5P4 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
G6PD P11413 1/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 1/20 0.33
PRKDC P78527 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GALR3 O60755 1/20 0.33

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
SCHEMBL15097484 0.79 ALDH1A1 (0.43) ALDH1A1TDP1TSHRGPR35NPSR1
SCHEMBL15097628 0.76 ALOX15 (0.36) ALDH1A1TDP1TSHRGPR35NPSR1
SCHEMBL4926322 0.74 KMT2A (0.52) ALDH1A1TDP1TSHRGPR35MEN1
SCHEMBL11226555 0.71 VCAM1 (0.56) ALDH1A1NPSR1MEN1KMT2AKDM4E
SCHEMBL15097502 0.69 ESR1 (0.39) ALDH1A1TDP1NPSR1MEN1KMT2A
SCHEMBL15097615 0.69 PDK1 (0.48) ALDH1A1TDP1TSHRNPSR1MEN1
SCHEMBL10709158 0.68 CASP6 (0.55) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL15097108 0.68 PRKDC (0.35) ALDH1A1TDP1TSHRKDM4EPRKDC
SCHEMBL15097714 0.68 ALDH1A1 (0.35) ALDH1A1TDP1TSHR
SCHEMBL11223647 0.68 VCAM1 (0.59) GPR35NPSR1KMT2AMAPTALOX15

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