SCHEMBL7207567

SCHEMBL7207567

[CH2]CCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.62
LMNA P02545 2/20 0.57
SIGMAR1 Q99720 2/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 4/20 0.48
ACHE P22303 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALOX15 P16050 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
PYCR1 P32322 1/20 0.48

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
SCHEMBL7328646 0.89 TSHR (0.59) TSHRLMNASIGMAR1CYP1A2CYP2D6
SCHEMBL3029808 0.88 TSHR (0.57) TSHRLMNASIGMAR1CYP1A2CYP2D6
SCHEMBL7471982 0.86 TSHR (0.56) TSHRLMNASIGMAR1CYP1A2CYP2D6
SCHEMBL132215 0.85 TSHR (0.67) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL7399400 0.83 TSHR (0.65) TSHRLMNASIGMAR1CYP1A2CYP2D6
SCHEMBL15921150 0.83 TSHR (0.65) TSHRLMNASIGMAR1CYP1A2CYP2D6
SCHEMBL78754 0.81 TSHR (0.62) TSHRLMNASIGMAR1CYP1A2CYP2D6
SCHEMBL680656 0.81 TSHR (0.62) TSHRLMNASIGMAR1CYP1A2CYP2D6
SCHEMBL850312 0.81 TSHR (0.62) TSHRLMNASIGMAR1CYP1A2CYP2D6
SCHEMBL3213418 0.81 TSHR (0.62) TSHRLMNASIGMAR1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0922050-B1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2003-07-30 EP claimed
CN-1224426-A 3-descladinose-2, 3-anhydroerythromycin derivatives ABBOTT LAB (US) 1999-07-28 CN claimed
EP-0922050-A1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1999-06-16 EP claimed
US-5750510-A ANTIBIOTICS ABBOTT LABORATORIES (US) 1998-05-12 US claimed
WO-1997042205-A1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1997-11-13 WO claimed
CN-101497628-A Method for synthesizing indenone-2-phosphonate derivative UNIV SOOCHOW (CN) 2009-08-05 CN disclosed
CN-101146782-A Meta-substituted thiazolidinone compounds, process for their preparation and their use as medicaments BAYER SCHERING PHARMA AG (DE) 2008-03-19 CN disclosed
CN-1217936-C Heterocyclic compounds having sulfonic acid EISAI CO LTD (JP) 2005-09-07 CN disclosed
EP-0922050-B1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2003-07-30 EP disclosed
CN-1414952-A Heterocyclic compounds having sulfonic acid EISAI CO LTD (JP) 2003-04-30 CN disclosed
EP-0650476-B1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMA CO LTD (JP) 2002-06-26 EP disclosed
EP-0638075-B1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMA CO LTD (JP) 2002-01-16 EP disclosed
CN-1104412-A Peripheral Vasodilating agent containing N-acylated 4-amino piperidine derivatives as active ingredients OTSUKA PHARMA CO LTD (JP) 1995-06-28 CN disclosed
EP-0650476-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-05-03 EP disclosed
EP-0638075-A1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-02-15 EP disclosed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed
WO-1994019335-A1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 WO disclosed
US-4895846-A CARDIOVASCULAR DISORDERS BRISTOL-MYERS COMPANY (US) 1990-01-23 US disclosed
US-4755512-A Pharmaceutically useful dihydropyridinyldicarboxylate amides and esters incorporating arylpiperazinylalkyl moities BRISTOL-MYERS COMPANY (US) 1988-07-05 US disclosed
US-4414213-A CARDIOVASCULAR DISORDERS MEAD JOHNSON & COMPANY (US) 1983-11-08 US disclosed