SCHEMBL10628192

SCHEMBL10628192

O=Cc1ccc([N+](=O)[O-])c2c([N+](=O)[O-])cccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 2/20 0.54
▸ TDP1 Q9NUW8 2/20 0.53
▸ ALDH1A1 P00352 5/20 0.47
▸ NCOA1 Q15788 1/20 0.45
▸ NCOA3 Q9Y6Q9 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ LMNA P02545 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ GPR35 Q9HC97 1/20 0.42
▸ AKR1C4 P17516 1/20 0.42
▸ AKR1C3 P42330 1/20 0.42
▸ AKR1C2 P52895 1/20 0.42
▸ AKR1C1 Q04828 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ PABPC1 P11940 1/20 0.41

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
SCHEMBL2030842 0.81 TDP1 (0.57) ERN1TDP1ALDH1A1NCOA1NCOA3
SCHEMBL1394957 0.81 TDP1 (0.69) ERN1TDP1ALDH1A1NCOA1NCOA3
SCHEMBL29708012 0.81 TDP1 (0.57) ERN1TDP1ALDH1A1NCOA1NCOA3
SCHEMBL10526689 0.81 TDP1 (0.74) TDP1ALDH1A1NCOA1NCOA3POLB
SCHEMBL11761221 0.77 ERN1 (0.49) ERN1TDP1ALDH1A1NCOA1NCOA3
SCHEMBL3985282 0.76 ERN1 (0.61) ERN1TDP1ALDH1A1CYP3A4HSD17B10
SCHEMBL28027350 0.76 TDP1 (0.73) TDP1ALDH1A1NCOA1NCOA3POLB
SCHEMBL28001115 0.75 ERN1 (0.68) ERN1TDP1ALDH1A1NCOA1NCOA3
SCHEMBL9078242 0.74 TDP1 (0.57) TDP1ALDH1A1POLBCYP3A4ALOX15
SCHEMBL8689065 0.74 TDP1 (0.57) TDP1ALDH1A1POLBCYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4732914-A Prostacyclin analogs THE UPJOHN COMPANY (US) 1988-03-22 — — US disclosed
US-4705806-A Prostacyclin analogs PHARMACIA & UPJOHN COMPANY 1987-11-10 — — US disclosed
US-4628110-A Novel 9-substituted carbacyclin analogs THE UPJOHN COMPANY (US) 1986-12-09 — — US disclosed
EP-0092352-B1 9-SUBSTITUTED CARBACYCLINS THE UPJOHN COMPANY (US) 1986-07-02 — — EP disclosed
EP-0086611-B1 9-SUBSTITUTED CARBACYCLIN ANALOGUES THE UPJOHN COMPANY (US) 1986-05-21 — — EP disclosed
US-4590297-A Novel 9-substituted carbacyclin analogs THE UPJOHN COMPANY (US) 1986-05-20 — — US disclosed
US-4588823-A 9-substituted carbacyclin analogs THE UPJOHN COMPANY (US) 1986-05-13 — — US disclosed
EP-0086612-B1 9-SUBSTITUTED CARBACYCLIN ANALOGUES THE UPJOHN COMPANY (US) 1986-05-07 — — EP disclosed
US-4533749-A 9-Substituted carbacyclin analogs THE UPJOHN COMPANY (US) 1985-08-06 — — US disclosed
US-4525586-A Composition and process THE UPJOHN COMPANY (US) 1985-06-25 — — US disclosed
US-3954833-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1976-05-04 — — US disclosed
US-3944595-A PROSTAGLANDIN THE UPJOHN COMPANY (US) 1976-03-16 — — US disclosed
US-3933897-A ANTIULCER, ASTHMA, RENAL DYSFUNCTION THE UPJOHN COMPANY (US) 1976-01-20 — — US disclosed
US-3933896-A ANTICOAGULANTS, ASTHMA, LABOR INDUCERS, CERVICAL DILATION THE UPJOHN COMPANY (US) 1976-01-20 — — US disclosed
US-3933899-A ANTIULCER, ANTICOAGULANTS, NASAL PATENCY, LABOR INDUCERS, WOUND HEALING THE UPJOHN COMPANY (US) 1976-01-20 — — US disclosed
US-3933900-A ANTIULCER, ANTICOAGULANTS, NASAL PATENCY, LABOR INDUCERS, WOUND HEALING THE UPJOHN COMPANY (US) 1976-01-20 — — US disclosed
US-3933898-A ANTIULCER, ANTICOAGULANTS, NASAL PATENCY, LABOR INDUCERS, WOUND HEALING THE UPJOHN COMPANY (US) 1976-01-20 — — US disclosed
US-3933895-A PROSTAGLANDINS, ANTIULCER, ANTICOAGULANTS, NASAL PATENCY, LABOR INDUCERS, WOUND HEALING THE UPJOHN COMPANY (US) 1976-01-20 — — US disclosed
US-3933889-A 4,5-Cis-didehydro-PGF1.sub.α analogs THE UPJOHN COMPANY (US) 1976-01-20 — — US disclosed
US-3931279-A 5-Oxa prostaglandin F2.sub.α analogs THE UPJOHN COMPANY (US) 1976-01-06 — — US disclosed
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