SCHEMBL3501895

SCHEMBL3501895

O=C1c2c(O)ccc([N+](=O)[O-])c2C(=O)c2c(O)ccc([N+](=O)[O-])c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 1.00
CYP3A4 P08684 3/20 1.00
TP53 P04637 3/20 1.00
HPGD P15428 3/20 1.00
HIF1A Q16665 2/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
MAPT P10636 3/20 0.77
APEX1 P27695 2/20 0.77
POLB P06746 1/20 0.77
CASP6 P55212 1/20 0.77
CSNK2A2 P19784 3/20 0.75
CSNK2B P67870 3/20 0.75
CSNK2A1 P68400 3/20 0.75
CSNK2A3 Q8NEV1 3/20 0.75
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CTSB P07858 1/20 0.50
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47

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
SCHEMBL10356103 1.00 TSHR (1.00) TSHRCYP3A4TP53HPGDHIF1A
SCHEMBL11648667 1.00 TSHR (1.00) TSHRCYP3A4TP53HPGDHIF1A
SCHEMBL186885 1.00 TSHR (1.00) TSHRCYP3A4TP53HPGDHIF1A
SCHEMBL10356144 1.00 TSHR (1.00) TSHRCYP3A4TP53HPGDHIF1A
SCHEMBL27988174 0.98 TSHR (0.96) TSHRCYP3A4TP53HPGDHIF1A
SCHEMBL27988713 0.98 TSHR (0.96) TSHRCYP3A4TP53HPGDHIF1A
Water SCHEMBL28089537 0.96 TSHR (0.92) TSHRCYP3A4TP53HPGDHIF1A
SCHEMBL11705536 0.89 TSHR (0.80) TSHRCYP3A4TP53HPGDHIF1A
SCHEMBL848506 0.89 TSHR (0.80) TSHRCYP3A4TP53HPGDHIF1A
SCHEMBL10400291 0.89 HPGD (0.80) TSHRCYP3A4TP53HPGDHIF1A

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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111574844-B Synthesis method of disperse blue 54 九江富达实业有限公司 2021-11-12 CN claimed
CN-111574844-A Synthesis method of disperse blue 54 九江富达实业有限公司 2020-08-25 CN claimed
CN-1313434-C Darr reaction process of quinone derivative composition to produce free radical and its application SHANDONG PROVINCIAL RES CT FOR (CN) 2007-05-02 CN claimed
CN-1526695-A Darr reaction process of quinone derivative composition to produce free radical and its application 山东省生物信息工程技术研究中心 2004-09-08 CN claimed
US-4916470-A Image bar with electrochromic switching system XEROX CORPORATION (US) 1990-04-10 US claimed
US-4048199-A Production of aminonitrodihydroxyanthraquinones by partial reduction dinitrodihydroxyanthraquinones BASF AKTIENGESELLSCHAFT (DT) 1977-09-13 US claimed
US-4046785-A Process for preparing aminoanthraquinones MITSUI TOATSU CHEMICALS, INC. (JA) 1977-09-06 US claimed
JP-62277471-A None JP disclosed
JP-58187454-A None JP disclosed
JP-4008770-A None JP disclosed
JP-56100855-A None JP disclosed
JP-56041255-A None JP disclosed
JP-6340879-A None JP disclosed
US-4096111-A (BENZOTHIAZOLYL-THIO)-SUBSTITUTED ANTHRAQUINONES BAYER AKTIENGESELLSCHAFT (DT) 1978-06-20 US disclosed
US-4076734-A Process for preparing dinitroanthraquinones SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1978-02-28 US disclosed
US-4054587-A Preparation of chloroanthraquinones from nitroanthraquinones BAYER AKTIENGESELLSCHAFT (DT) 1977-10-18 US disclosed
US-4048199-A Production of aminonitrodihydroxyanthraquinones by partial reduction dinitrodihydroxyanthraquinones BASF AKTIENGESELLSCHAFT (DT) 1977-09-13 US disclosed
US-4046785-A Process for preparing aminoanthraquinones MITSUI TOATSU CHEMICALS, INC. (JA) 1977-09-06 US disclosed
US-4016181-A Dyestuff process GAF CORPORATION (US) 1977-04-05 US disclosed
US-4016182-A Process for the production of aminoanthraquinone compounds SANDOZ LTD. (CH) 1977-04-05 US disclosed