SCHEMBL6294397

SCHEMBL6294397

O=C1C=CC(=O)C(c2c([N+](=O)[O-])ccc3c2ccc2cc([N+](=O)[O-])ccc23)=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.38
TSHR P16473 2/20 0.38
GPR35 Q9HC97 2/20 0.37
HPRT1 P00492 1/20 0.37
PARP1 P09874 1/20 0.35
ALDH1A1 P00352 4/20 0.34
HIF1A Q16665 2/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DAO P14920 1/20 0.34
TXNRD1 Q16881 1/20 0.33
TXNRD3 Q86VQ6 1/20 0.33
TXNRD2 Q9NNW7 1/20 0.33
HSP90AA1 P07900 2/20 0.33
CRHBP P24387 2/20 0.33
CRHR2 Q13324 2/20 0.33
MAPT P10636 2/20 0.32
PTPRC P08575 2/20 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
SCHEMBL2700202 0.85 HPRT1 (0.51) TDP1TSHRHPRT1PARP1ALDH1A1
SCHEMBL7915319 0.78 ALDH1A1 (0.38) TDP1HPRT1ALDH1A1HIF1ATP53
SCHEMBL7247279 0.75 HSD17B10 (0.39) TSHRPARP1ALDH1A1HPGDSMN1; SMN2
SCHEMBL7918755 0.69 MEN1 (0.35) TDP1PARP1ALDH1A1HIF1ATP53
SCHEMBL11718504 0.68 TDP1 (0.55) TDP1TSHRGPR35ALDH1A1HIF1A
SCHEMBL5575186 0.67 HPRT1 (0.64) TDP1TSHRHPRT1PARP1ALDH1A1
SCHEMBL3177442 0.67 HSD17B3 (0.56) TDP1ALDH1A1MAPK1MAPTPTPRC
SCHEMBL3290538 0.67 CCR6 (0.37) TDP1ALDH1A1HIF1ATP53HPGD
Hydrochloric Acid SCHEMBL28324776 0.66 ALDH1A1 (0.51) TDP1TSHRGPR35HPRT1ALDH1A1
SCHEMBL26205137 0.66 HPRT1 (0.46) TDP1TSHRHPRT1HIF1ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114276357-B 2,8, 14-trinitro substituted hexaazanaphthalene monomer and azo-based polymer thereof, preparation method and application 吉林大学 2023-03-28 CN claimed
CN-114276357-A 2,8, 14-trinitro substituted hexaazanaphthalene monomer and azo-based polymer thereof, preparation method and application 吉林大学 2022-04-05 CN claimed
CN-114276357-B 2,8, 14-trinitro substituted hexaazanaphthalene monomer and azo-based polymer thereof, preparation method and application 吉林大学 2023-03-28 CN disclosed
CN-114276357-A 2,8, 14-trinitro substituted hexaazanaphthalene monomer and azo-based polymer thereof, preparation method and application 吉林大学 2022-04-05 CN disclosed
US-6846956-B2 Triarylmethane dyes BASF AKTIENGESELLSCHAFT (DE) 2005-01-25 US disclosed
US-20030181740-A1 Triarylmethane dyes BASF AKTIENGESELLSCHAFT (DE) 2003-09-25 US disclosed