SCHEMBL22010401

SCHEMBL22010401

N/N=C(/SC1(C(=O)N2CCc3cc(N4CCOCC4)ccc32)CC1)N(N)c1ccc(C(=O)O)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 1/20 0.34
▸ PIK3CD O00329 5/20 0.34
▸ PIK3CB P42338 5/20 0.34
▸ CYP3A4 P08684 3/20 0.34
▸ GAA P10253 3/20 0.33
▸ PIK3CA P42336 3/20 0.33
▸ PIK3CG P48736 2/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ ACLY P53396 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ POLB P06746 1/20 0.32
▸ PTPN7 P35236 1/20 0.32
▸ PTPN11 Q06124 1/20 0.32
▸ TBK1 Q9UHD2 1/20 0.32
▸ PRKDC P78527 2/20 0.32
▸ HPGD P15428 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ RORC P51449 1/20 0.31

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
SCHEMBL21952086 0.76 LMNA (0.38) SLC16A3PIK3CDPIK3CBCYP3A4PIK3CA
SCHEMBL30278743 0.76 LMNA (0.38) SLC16A3PIK3CDPIK3CBCYP3A4PIK3CA
SCHEMBL22009336 0.74 POLB (0.34) USP30KDM4EALDH1A1POLBHPGD
SCHEMBL22009342 0.73 PIK3CD (0.38) PIK3CDPIK3CBCYP3A4PIK3CAPIK3CG
SCHEMBL22009404 0.72 KDM1A (0.37) USP30
SCHEMBL30689227 0.69 PRKDC (0.56) SLC16A3PIK3CDPIK3CBGAAPIK3CA
SCHEMBL18394573 0.69 PRKDC (0.56) SLC16A3PIK3CDPIK3CBGAAPIK3CA
SCHEMBL22010404 0.67 KMO (0.41) ALDH1A1
SCHEMBL28429340 0.62 GPR119 (0.45) PIK3CAUSP30ALDH1A1PRKDCSMN1; SMN2
SCHEMBL22010386 0.61 GSK3B (0.45) KDM4EALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3909577-A1 UBIQUITIN-LIGASE INHIBITORS FOR THE TREATMENT OF CANCER Fundación Profesor Novoa Santos (ES) 2021-11-17 — — EP disclosed
WO-2020099652-A1 COMPOUNDS THAT SELECTIVELY AND EFFECTIVELY INHIBIT HAKAI-MEDIATED UBIQUITINATION, AS ANTI-CANCER DRUGS FUNDACIÓN PROFESOR NOVOA SANTOS (ES) 2020-05-22 — — WO disclosed
EP-3653208-A1 COMPOUNDS THAT SELECTIVELY AND EFFECTIVELY INHIBIT HAKAI-MEDIATED UBIQUITINATION, AS ANTI-CANCER DRUGS Fundación Profesor Novoa Santos (ES) 2020-05-20 — — EP disclosed
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