SCHEMBL31471901

SCHEMBL31471901

O=S(=O)(c1ccc2ccccc2c1)N1CC2CC1CN2

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.61
LMNA P02545 3/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PKM P14618 3/20 0.48
MCOLN3 Q8TDD5 3/20 0.47
TSHR P16473 1/20 0.47
AKR1C3 P42330 3/20 0.44
AKR1C1 Q04828 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL10231078 1.00 HSD11B1 (0.61) HSD11B1LMNAALDH1A1SMN1; SMN2PKM
SCHEMBL1618372 1.00 HSD11B1 (0.61) HSD11B1LMNAALDH1A1SMN1; SMN2PKM
SCHEMBL566287 0.85 HSD11B1 (0.54) HSD11B1
Hydrochloric Acid SCHEMBL567432 0.84 HSD11B1 (0.53) HSD11B1
SCHEMBL8692108 0.83 HSD11B1 (0.54) HSD11B1ALDH1A1MEN1KMT2A
SCHEMBL30121385 0.83 HSD11B1 (0.70) HSD11B1ALDH1A1TSHRKMT2A
SCHEMBL4413069 0.83 HSD11B1 (0.70) HSD11B1ALDH1A1TSHRKMT2A
SCHEMBL31471935 0.81 HSD11B1 (0.67) HSD11B1ALDH1A1
SCHEMBL4405981 0.79 HSD11B1 (0.69) HSD11B1PKMMCOLN3
SCHEMBL31471844 0.78 HSD11B1 (0.61) HSD11B1MCOLN3AKR1C3MEN1KMT2A

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