SCHEMBL8622033

SCHEMBL8622033

c1ccc2c(c1)Oc1ccccc1C2c1c[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.53
HTR2A P28223 3/20 0.53
HTR2B P41595 3/20 0.53
GAA P10253 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
SLC6A4 P31645 1/20 0.48
ADRB2 P07550 1/20 0.47
CYP2C9 P11712 1/20 0.45
PDE1C Q14123 1/20 0.44
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
IDO1 P14902 3/20 0.43
AR P10275 1/20 0.43
LMNA P02545 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL30008472 1.00 HTR2C (0.53) HTR2CHTR2AHTR2BGAAALDH1A1
SCHEMBL27791302 0.81 HTR2C (0.56) HTR2CHTR2AHTR2BGAAALDH1A1
SCHEMBL28430075 0.78 PKM (0.47) ALDH1A1MAPT
SCHEMBL21399747 0.73 HTR2C (0.47) HTR2CHTR2AHTR2BGAAALDH1A1
SCHEMBL25324193 0.72 GAA (0.54) HTR2CHTR2AHTR2BGAAALDH1A1
SCHEMBL668166 0.72 CYP2C9 (0.49) ALDH1A1MAPTSLC6A4CYP2C9LMNA
SCHEMBL3264451 0.71 ALDH1A1 (0.69) HTR2CHTR2AHTR2BGAAALDH1A1
SCHEMBL9027059 0.70 HTR2C (0.56) HTR2CHTR2AHTR2BGAAALDH1A1
SCHEMBL19180060 0.70 HTR2C (0.51) HTR2CHTR2AHTR2BGAAALDH1A1
SCHEMBL8434064 0.70 PDE1C (0.50) HTR2CHTR2AHTR2BGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110041313-B Ionic liquid promoted solvent-free synthesis method of 3- (9H-xanthene-9-yl) -1H-indole compound 河南师范大学 2022-11-18 CN claimed
CN-110041313-B Ionic liquid promoted solvent-free synthesis method of 3- (9H-xanthene-9-yl) -1H-indole compound 河南师范大学 2022-11-18 CN disclosed
CN-110041313-B Ionic liquid promoted solvent-free synthesis method of 3- (9H-xanthene-9-yl) -1H-indole compound 河南师范大学 2022-11-18 CN disclosed
CN-110041313-B Ionic liquid promoted solvent-free synthesis method of 3- (9H-xanthene-9-yl) -1H-indole compound 河南师范大学 2022-11-18 CN disclosed
EP-0840798-A1 USE OF A SALT OF 6-CARBOXY-3-METHYLBENZOTHIAZOLONE HYDRAZONE HYDRATE IN COLORIMETRIC DETERMINATION OF HYDROGEN PEROXIDE ACTIMED LABORATORIES, INC. (US) 1998-05-13 EP disclosed
US-5710012-A DETECTION OF CHOLESTEROL BY RELEASE OF HYDROGEN PEROXIDE ACTIMED LABORATORIES, INC. (US) 1998-01-20 US disclosed
WO-1996037629-A1 USE OF A SALT OF 6-CARBOXY-3-METHYLBENZOTHIAZOLONE HYDRAZONE HYDRATE IN COLORIMETRIC DETERMINATION OF HYDROGEN PEROXIDE ACTIMED LABORATORIES, INC. (US) 1996-11-28 WO disclosed