SCHEMBL31472000

SCHEMBL31472000

CCCc1ccc(S(=O)(=O)N2CC3CC2CN3)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.65
ECE1 P42892 1/20 0.42
CA2 P00918 1/20 0.41
MMP1 P03956 3/20 0.40
MMP3 P08254 3/20 0.40
MMP7 P09237 3/20 0.40
MMP13 P45452 3/20 0.40
MMP2 P08253 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
FKBP1A P62942 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36

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 0.81 HSD11B1 (0.70) HSD11B1MMP2L3MBTL1ALDH1A1KMT2A
SCHEMBL30121385 0.81 HSD11B1 (0.70) HSD11B1MMP2L3MBTL1ALDH1A1KMT2A
SCHEMBL18381180 0.80 HSD11B1 (0.77) HSD11B1L3MBTL1MCOLN3MEN1ALDH1A1
SCHEMBL4405981 0.80 HSD11B1 (0.69) HSD11B1MMP1MMP3MMP7MMP2
SCHEMBL12786753 0.79 HSD11B1 (1.00) HSD11B1ALDH1A1LMNA
SCHEMBL12786804 0.79 HSD11B1 (1.00) HSD11B1ALDH1A1LMNA
SCHEMBL31471935 0.79 HSD11B1 (0.67) HSD11B1MMP1MMP3MMP13MMP2
SCHEMBL31471931 0.78 HSD11B1 (0.67) HSD11B1L3MBTL1ALDH1A1LMNAHTT
SCHEMBL4403548 0.76 HSD11B1 (0.64) HSD11B1MMP3L3MBTL1
SCHEMBL1618372 0.74 HSD11B1 (0.61) HSD11B1MCOLN3MEN1ALDH1A1LMNA

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