SCHEMBL7356194

SCHEMBL7356194

CCOC(=O)c1cccnc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.61
▸ KDM4E B2RXH2 7/20 0.61
▸ ALOX15 P16050 3/20 0.61
▸ L3MBTL1 Q9Y468 3/20 0.61
▸ TSHR P16473 2/20 0.61
▸ MAPT P10636 2/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ BLM P54132 1/20 0.61
▸ AGER Q15109 1/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ HTT P42858 1/20 0.57
▸ GAA P10253 1/20 0.56
▸ BRD4 O60885 1/20 0.55
▸ HSD17B10 Q99714 2/20 0.50
▸ PPIA P62937 1/20 0.47
▸ MYC P01106 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46

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
SCHEMBL1737254 0.90 BRD4 (0.61) ALDH1A1L3MBTL1TSHRHTTBRD4
SCHEMBL29870373 0.90 BRD4 (0.61) ALDH1A1L3MBTL1TSHRHTTBRD4
SCHEMBL27492813 0.88 ALDH1A1 (0.60) ALDH1A1KDM4EALOX15L3MBTL1TSHR
SCHEMBL31037820 0.87 KDM4E (0.61) ALDH1A1KDM4EALOX15L3MBTL1TSHR
SCHEMBL14840493 0.87 TSHR (0.58) ALDH1A1L3MBTL1TSHRMAPTHTT
SCHEMBL4914014 0.87 KDM4E (0.61) ALDH1A1KDM4EALOX15L3MBTL1TSHR
SCHEMBL14840457 0.84 TSHR (0.54) ALDH1A1L3MBTL1TSHRHTTBRD4
SCHEMBL2801546 0.84 BRD4 (0.56) ALDH1A1KDM4EL3MBTL1TSHRMAPT
SCHEMBL21639387 0.83 TSHR (0.53) ALDH1A1L3MBTL1TSHRHTTBRD4
SCHEMBL8616148 0.83 TSHR (0.53) ALDH1A1L3MBTL1TSHRHTTBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109384714-A The recovery method and production method of substituted or unsubstituted 2,3- pyridinedicarboxylic acid 北京颖泰嘉和生物科技股份有限公司 2019-02-26 — — CN claimed
EP-1087953-A1 NITRATE SALTS OF ANTIHYPERTENSIVE MEDICINES NICOX S.A. (FR) 2001-04-04 — — EP claimed
WO-1999067231-A1 NITRATE SALTS OF ANTIHYPERTENSIVE MEDICINES NICOX S.A. (FR) 1999-12-29 — — WO claimed
WO-2024060966-A1 PAN-KRAS INHIBITOR COMPOUND 杭州阿诺生物医药科技有限公司 2024-03-28 — — WO disclosed
US-20200392492-A1 Modulating Immune Responses UNIVERSITY OF MIAMI 2020-12-17 — — US disclosed
CN-109384714-A The recovery method and production method of substituted or unsubstituted 2,3- pyridinedicarboxylic acid 北京颖泰嘉和生物科技股份有限公司 2019-02-26 — — CN disclosed
EP-1087953-A1 NITRATE SALTS OF ANTIHYPERTENSIVE MEDICINES NICOX S.A. (FR) 2001-04-04 — — EP disclosed
WO-1999067231-A1 NITRATE SALTS OF ANTIHYPERTENSIVE MEDICINES NICOX S.A. (FR) 1999-12-29 — — WO disclosed
EP-0576433-A1 USE OF LACIDIPINE FOR THE TREATMENT OF ARTERIOSCLEROSIS GLAXO S.p.A. (IT) 1994-01-05 — — EP disclosed
WO-1992014460-A1 USE OF LACIDIPINE FOR THE TREATMENT OF ARTERIOSCLEROSIS GLAXO SPA (IT) 1992-09-03 — — WO disclosed
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