SCHEMBL10362634

SCHEMBL10362634

COC(=O)c1ccccc1NC(=O)C(CCN)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ GAA P10253 3/20 0.55
▸ KDM4E B2RXH2 8/20 0.54
▸ ALDH1A1 P00352 6/20 0.54
▸ HSD17B10 Q99714 5/20 0.51
▸ MAPK10 P53779 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MAPT P10636 2/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ APOBEC3A P31941 1/20 0.48
▸ APOBEC3G Q9HC16 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
SCHEMBL10362865 0.77 TSHR (0.55) TSHRTDP1KMT2AGAAKDM4E
SCHEMBL25904137 0.77 TSHR (0.65) TSHRTDP1KMT2AGAAKDM4E
SCHEMBL5928724 0.76 TSHR (0.68) TSHRTDP1KMT2AGAAKDM4E
SCHEMBL7814023 0.76 TSHR (0.60) TSHRTDP1KMT2AGAAKDM4E
SCHEMBL28304178 0.76 TSHR (0.60) TSHRTDP1KMT2AGAAKDM4E
SCHEMBL6715728 0.76 TSHR (0.60) TSHRTDP1KMT2AGAAKDM4E
SCHEMBL12730395 0.75 KMT2A (0.78) TSHRKMT2AGAAKDM4EALDH1A1
SCHEMBL17115785 0.75 TSHR (0.63) TSHRTDP1KMT2AGAAKDM4E
SCHEMBL3860229 0.74 TSHR (0.66) TSHRTDP1KMT2AGAAKDM4E
SCHEMBL12811737 0.74 KMT2A (0.71) TSHRTDP1KMT2AGAAKDM4E

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-0147211-B1 4H-3,1-BENZOXAZIN-4-ONES AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION SYNTEX (U.S.A.) INC. (US) 1990-09-12 — — EP disclosed
US-4657893-A ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) INC. (US) 1987-04-14 — — US disclosed
EP-0147211-A2 4H-3,1-benzoxazin-4-ones and related compounds, pharmaceutical compositions containing them, and processes for their preparation SYNTEX (U.S.A.) INC. (US) 1985-07-03 — — EP disclosed
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