SCHEMBL31471915

SCHEMBL31471915

CC(C)(C)OC(=O)N1CC2CC1CN2S(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.58
▸ TSHR P16473 3/20 0.53
▸ GFER P55789 2/20 0.53
▸ F13A1 P00488 1/20 0.51
▸ TGM2 P21980 1/20 0.51
▸ TGM1 P22735 1/20 0.51
▸ ALOX15 P16050 2/20 0.47
▸ PARP1 P09874 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ HPGD P15428 1/20 0.44
▸ HTT P42858 1/20 0.44

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
SCHEMBL17075765 0.79 HSD11B1 (0.64) HSD11B1F13A1TGM2TGM1PARP1
SCHEMBL15932400 0.79 HSD11B1 (0.64) HSD11B1F13A1TGM2TGM1PARP1
SCHEMBL17075769 0.79 HSD11B1 (0.64) HSD11B1F13A1TGM2TGM1PARP1
SCHEMBL31472006 0.77 HSD11B1 (0.79) HSD11B1F13A1TGM2TGM1PARP1
SCHEMBL13886846 0.77 GAA (0.51) TSHRGFERALOX15ALDH1A1POLB
SCHEMBL1380179 0.77 GAA (0.51) TSHRGFERALOX15ALDH1A1POLB
SCHEMBL31471811 0.77 HSD11B1 (0.64) HSD11B1F13A1TGM2TGM1PARP1
Hydrochloric Acid SCHEMBL4035609 0.77 GAA (0.50) TSHRGFERALOX15ALDH1A1POLB
Hydrochloric Acid SCHEMBL4034494 0.77 GAA (0.50) TSHRGFERALOX15ALDH1A1POLB
SCHEMBL1618371 0.76 HSD11B1 (0.70) HSD11B1F13A1TGM2TGM1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025100889-A1 QUINAZOLINE DERIVATIVE, SALT THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT 한국화학연구원 2025-05-15 — — WO disclosed
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