SCHEMBL31471935

SCHEMBL31471935

O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CC2CC1CN2

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.67
PARL Q9H300 1/20 0.48
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MMP9 P14780 5/20 0.44
MMP2 P08253 4/20 0.44
ALOX5AP P20292 2/20 0.44
FEN1 P39748 2/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
MMP3 P08254 3/20 0.43
MMP8 P22894 3/20 0.43
MMP1 P03956 2/20 0.43
ADAM17 P78536 2/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
MMP14 P50281 1/20 0.43
MMP16 P51512 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL4413069 0.91 HSD11B1 (0.70) HSD11B1PARLALDH1A1MMP2ALOX5AP
SCHEMBL30121385 0.91 HSD11B1 (0.70) HSD11B1PARLALDH1A1MMP2ALOX5AP
SCHEMBL4405981 0.84 HSD11B1 (0.69) HSD11B1MMP2ALOX5APFEN1MMP3
SCHEMBL31471901 0.81 HSD11B1 (0.61) HSD11B1ALDH1A1
SCHEMBL12786804 0.81 HSD11B1 (1.00) HSD11B1ALDH1A1GAA
SCHEMBL12786753 0.81 HSD11B1 (1.00) HSD11B1ALDH1A1GAA
SCHEMBL1618372 0.81 HSD11B1 (0.61) HSD11B1ALDH1A1
SCHEMBL4403548 0.81 HSD11B1 (0.64) HSD11B1GAAMMP3MMP8L3MBTL1
SCHEMBL10231078 0.81 HSD11B1 (0.61) HSD11B1ALDH1A1
SCHEMBL31471931 0.80 HSD11B1 (0.67) HSD11B1ALDH1A1L3MBTL1

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