SCHEMBL31471876

SCHEMBL31471876

COc1cccc(S(=O)(=O)N2CC3CC2CN3)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.57
PAX8 Q06710 1/20 0.46
CTSG P08311 1/20 0.46
CMA1 P23946 1/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
AKR1C3 P42330 1/20 0.44
HTR7 P34969 2/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
HTR6 P50406 6/20 0.43
PKM P14618 1/20 0.43
PKLR P30613 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HTR2C P28335 1/20 0.42
CYP3A4 P08684 1/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41

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
SCHEMBL31471844 0.83 HSD11B1 (0.61) HSD11B1CHRNB2CHRNA4AKR1C3HTR7
SCHEMBL31471909 0.81 HSD11B1 (0.57) HSD11B1CTSGCMA1CHRNB2CHRNA4
SCHEMBL30121385 0.80 HSD11B1 (0.70) HSD11B1CHRNB2CHRNA4TSHR
SCHEMBL4413069 0.80 HSD11B1 (0.70) HSD11B1CHRNB2CHRNA4TSHR
SCHEMBL31471901 0.78 HSD11B1 (0.61) HSD11B1AKR1C3PKMLMNATSHR
SCHEMBL10231078 0.78 HSD11B1 (0.61) HSD11B1AKR1C3PKMLMNATSHR
SCHEMBL1618372 0.78 HSD11B1 (0.61) HSD11B1AKR1C3PKMLMNATSHR
SCHEMBL31471833 0.78 HSD11B1 (0.60) HSD11B1AKR1C3HTR6PKMPKLR
SCHEMBL13950417 0.78 HSD11B1 (0.60) HSD11B1AKR1C3HTR6PKMPKLR
SCHEMBL31471904 0.75 HSD11B1 (0.60) HSD11B1CHRNB2CHRNA4LMNATSHR

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