SCHEMBL28331998

SCHEMBL28331998

O=[N+]([O-])c1ccc2c(ccc3ccccc32)c1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 2/20 0.67
ALDH1A1 P00352 2/20 0.56
TSHR P16473 4/20 0.54
CYP3A4 P08684 1/20 0.52
S100A4 P26447 2/20 0.50
TDP1 Q9NUW8 3/20 0.46
HNF4A P41235 1/20 0.45
CASP6 P55212 1/20 0.45
CTSB P07858 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP2A6 P11509 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PAX8 Q06710 1/20 0.42
NCEH1 Q6PIU2 1/20 0.42
GPR35 Q9HC97 1/20 0.42
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CRHBP P24387 1/20 0.40

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
SCHEMBL31162591 1.00 HPRT1 (0.67) HPRT1ALDH1A1TSHRCYP3A4S100A4
SCHEMBL187452 0.91 TSHR (0.65) HPRT1ALDH1A1TSHRCYP3A4S100A4
Hydrochloric Acid SCHEMBL28323697 0.89 TSHR (0.62) HPRT1ALDH1A1TSHRCYP3A4S100A4
SCHEMBL27833839 0.84 ALDH1A1 (0.70) HPRT1ALDH1A1TSHRCYP3A4TDP1
SCHEMBL10593100 0.83 TSHR (0.56) HPRT1ALDH1A1TSHRCYP3A4S100A4
SCHEMBL1556587 0.81 ALDH1A1 (0.78) HPRT1ALDH1A1TSHRCYP3A4TDP1
SCHEMBL31677740 0.81 ALDH1A1 (0.78) HPRT1ALDH1A1TSHRCYP3A4TDP1
SCHEMBL29789001 0.81 ALDH1A1 (0.78) HPRT1ALDH1A1TSHRCYP3A4TDP1
SCHEMBL3697120 0.81 HPRT1 (0.56) HPRT1ALDH1A1TSHRCYP3A4S100A4
SCHEMBL3776997 0.81 HPRT1 (0.56) HPRT1ALDH1A1TSHRCYP3A4S100A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113083295-A Three-dimensional grading porous composite material with high quality activity, preparation method and application thereof 中南大学 2021-07-09 CN claimed
CN-113083295-A Three-dimensional grading porous composite material with high quality activity, preparation method and application thereof 中南大学 2021-07-09 CN disclosed
CN-111588760-A Method for preparing anti-aging biological product by biological method 杨庆利 2020-08-28 CN disclosed
CN-111013631-A Novel three-dimensional grading porous composite material, preparation method and application thereof 中南大学 2020-04-17 CN disclosed
CN-110574926-A process for high-value utilization of innominate sunflower 青岛浩大生物科技工程有限责任公司 2019-12-17 CN disclosed