SCHEMBL8399635

SCHEMBL8399635

O=C(c1ccccc1)c1cccc([N+](=O)[O-])c1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
AKR1C3 P42330 1/20 0.55
TSHR P16473 1/20 0.53
CDC25B P30305 2/20 0.51
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
GLA P06280 1/20 0.50
HPSE Q9Y251 1/20 0.49
MYC P01106 1/20 0.49
TP53 P04637 1/20 0.48
VCAM1 P19320 1/20 0.48
MAPK1 P28482 1/20 0.48
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.45
CTSD P07339 1/20 0.45
ATM Q13315 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL5307875 0.89 TSHR (0.58) TDP1L3MBTL1AKR1C3TSHRCDC25B
SCHEMBL5389537 0.88 TDP1 (0.51) TDP1L3MBTL1AKR1C3TSHRCDC25B
SCHEMBL9251907 0.88 TDP1 (0.59) TDP1L3MBTL1AKR1C3TSHRCDC25B
SCHEMBL27339443 0.88 TDP1 (0.50) TDP1L3MBTL1AKR1C3TSHRCDC25B
SCHEMBL8403769 0.88 VCAM1 (0.49) TDP1L3MBTL1AKR1C3TSHRCDC25B
SCHEMBL411359 0.84 ALDH1A1 (0.59) TDP1AKR1C3TSHRCDC25BKDM4E
SCHEMBL29351965 0.84 TDP1 (0.66) TDP1L3MBTL1TSHRCDC25BKDM4E
SCHEMBL27637513 0.84 ALDH1A1 (0.59) TDP1AKR1C3TSHRCDC25BKDM4E
SCHEMBL15869336 0.84 TDP1 (0.66) TDP1L3MBTL1TSHRCDC25BKDM4E
SCHEMBL304456 0.84 TDP1 (0.66) TDP1L3MBTL1TSHRCDC25BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110330465-A Hydrazone amide derivatives and its application in preparation prevention and treatment alopecia agent 深圳市三启药物开发有限公司 2019-10-15 CN claimed
CN-110229118-A Hydrazone amide derivatives and its preparing the application in osteosporosis resistant medicament 深圳市三启药物开发有限公司 2019-09-13 CN claimed
CN-1681470-A Agent for dyeing keratinous fibres HENKEL KGAA (DE) 2005-10-12 CN claimed
US-4065477-A Process for preparing highly pure 1-nitroanthraquinone BISON-WERKE BAHRE & GRETEN GMBH & CO. KG (US) 1977-12-27 US claimed
CN-110330465-A Hydrazone amide derivatives and its application in preparation prevention and treatment alopecia agent 深圳市三启药物开发有限公司 2019-10-15 CN disclosed
CN-110229118-A Hydrazone amide derivatives and its preparing the application in osteosporosis resistant medicament 深圳市三启药物开发有限公司 2019-09-13 CN disclosed
CN-101316853-A Benzothiazole and thiazolopyridine as SIRTUIN modulators SIRTRIS PHARMACEUTICALS INC (US) 2008-12-03 CN disclosed
CN-101282974-A Benzimidazole derivatives as SIRTUIN modulators SIRTRIS PHARMACEUTICALS INC (US) 2008-10-08 CN disclosed
CN-101282761-A Benzimidazole derivatives as SIRTUIN modulators SIRTRIS PHARMACEUTICALS INC (US) 2008-10-08 CN disclosed
CN-101277965-A Imidazo [2, 1-b ] thiazole derivatives as SIRTUIN modulating compounds SIRTRIS PHARMACEUTICALS INC (US) 2008-10-01 CN disclosed
CN-1882307-A Method for dyeing fibres containing keratine HENKEL KGAA (DE) 2006-12-20 CN disclosed
CN-1761517-A Mixing device HENKEL KGAA (DE) 2006-04-19 CN disclosed
CN-1681470-A Agent for dyeing keratinous fibres HENKEL KGAA (DE) 2005-10-12 CN disclosed
US-5919933-A PHOTOSTABILITY, OXIDATION RESISTANCE, RADIATION RESISTANCE, HEAT RESISTANCE CLARIANT GMBH (DE) 1999-07-06 US disclosed
CN-1173493-A Novel light stabilizers based on sterically hindered amines HOECHST AG (DE) 1998-02-18 CN disclosed
US-4185024-A Nitric acid process for the manufacture of anthraquinone from o-benzyl-toluene BERGWERKSVERBAND GMBH (DE) 1980-01-22 US disclosed
US-4153632-A 2-Methyl-3-nitrobenzophenone AMERICAN CYANAMID COMPANY (US) 1979-05-08 US disclosed
US-4065477-A Process for preparing highly pure 1-nitroanthraquinone BISON-WERKE BAHRE & GRETEN GMBH & CO. KG (US) 1977-12-27 US disclosed