SCHEMBL28088017

SCHEMBL28088017

Cc1c(-c2ccccc2)c(C)c([N+](=O)[O-])c(C(C)(C)C)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.43
ALDH1A1 P00352 6/20 0.41
TDP1 Q9NUW8 4/20 0.41
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
TSHR P16473 4/20 0.37
CYP3A4 P08684 2/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HCRTR1 O43613 1/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.35
CRHBP P24387 2/20 0.34

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
SCHEMBL25241611 0.80 HPRT1 (0.49) HPRT1ALDH1A1TDP1ABCC8KCNJ11
SCHEMBL4958866 0.77 ALDH1A1 (0.36) HPRT1ALDH1A1TDP1ABCC8KCNJ11
SCHEMBL1224154 0.76 TSHR (0.41) ALDH1A1TDP1TSHRSMN1; SMN2PKM
SCHEMBL273394 0.76 TSHR (0.41) ALDH1A1TDP1TSHRSMN1; SMN2PKM
SCHEMBL10941016 0.74 TSHR (0.39) ALDH1A1TDP1TSHRMAPTNPC1
SCHEMBL4928732 0.74 TDP1 (0.40) ALDH1A1TDP1TSHRSMN1; SMN2PKM
SCHEMBL4928738 0.74 TDP1 (0.40) ALDH1A1TDP1TSHRSMN1; SMN2PKM
SCHEMBL28021446 0.71 HPRT1 (0.44) HPRT1ALDH1A1TDP1ABCC8KCNJ11
SCHEMBL4923849 0.71 ALDH1A1 (0.39) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL27322672 0.71 MEN1 (0.41) ALDH1A1TDP1TSHRMAPTSMN1; SMN2

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
CN-102858944-B Delivery of particles 宝洁公司 2016-08-24 CN disclosed