SCHEMBL23041990

SCHEMBL23041990

COC(=O)C(NC(=O)c1cc(-c2cccc(-c3ncc(C(=O)NC(C(=O)O)C(C)C)o3)c2)nn1CC(O)C(F)(F)F)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.37
▸ MME P08473 2/20 0.36
▸ TACR3 P29371 1/20 0.35
▸ CSGALNACT1 Q8TDX6 5/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.34
▸ GPR132 Q9UNW8 2/20 0.33
▸ MMP13 P45452 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ PHGDH O43175 1/20 0.33
▸ DGAT1 O75907 1/20 0.33
▸ PIN1 Q13526 1/20 0.33

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
SCHEMBL23041988 1.00 POLB (0.37) POLBMMETACR3CSGALNACT1ABCG2
SCHEMBL23041654 0.97 POLB (0.38) POLBMMETACR3ABCG2MMP13
SCHEMBL29452788 0.97 POLB (0.38) POLBMMETACR3ABCG2MMP13
SCHEMBL23052230 0.97 POLB (0.38) POLBMMETACR3ABCG2MMP13
SCHEMBL23041655 0.97 POLB (0.38) POLBMMETACR3ABCG2MMP13
SCHEMBL23041653 0.97 POLB (0.38) POLBMMETACR3ABCG2MMP13
SCHEMBL23041643 0.91 POLB (0.35) POLBMMETACR3ABCG2MMP13
SCHEMBL23041682 0.91 POLB (0.35) POLBMMETACR3ABCG2MMP13
SCHEMBL23041645 0.91 POLB (0.35) POLBMMETACR3ABCG2MMP13
SCHEMBL23041644 0.91 POLB (0.35) POLBMMETACR3ABCG2MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4021572-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2022-07-06 — — EP claimed
WO-2021038426-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-03-04 — — WO claimed
EP-4021572-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2022-07-06 — — EP disclosed
WO-2021038426-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-03-04 — — WO disclosed
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