SCHEMBL11295269

SCHEMBL11295269

CC1CC(c2cccc(Br)c2)c2c(Br)cccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.46
HTR2C P28335 5/20 0.46
HTR2B P41595 5/20 0.46
HRH3 Q9Y5N1 4/20 0.46
KDM1A O60341 4/20 0.42
EPAS1 Q99814 3/20 0.37
RCOR1 Q9UKL0 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SIRT2 Q8IXJ6 2/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL11296622 0.83 HTR2A (0.56) HTR2AHTR2CHTR2BHRH3KDM1A
SCHEMBL11290967 0.80 KDM1A (0.50) HTR2AHTR2CHTR2BHRH3KDM1A
SCHEMBL11308474 0.72 HTR2C (0.42) HTR2AHTR2CHTR2BHRH3KDM1A
SCHEMBL11296831 0.70 HTR2A (0.46) HTR2AHTR2CHTR2BHRH3KDM1A
SCHEMBL11298536 0.69 HTR2C (0.45) HTR2AHTR2CHTR2BHRH3KDM1A
SCHEMBL15372957 0.68 KDM1A (0.66) HTR2AHTR2CHTR2BHRH3KDM1A
SCHEMBL8329871 0.68 KDM1A (0.66) HTR2AHTR2CHTR2BHRH3KDM1A
SCHEMBL22849885 0.66 KDM1A (0.53) HTR2AHTR2CHTR2BHRH3KDM1A
SCHEMBL11294214 0.66 HTR2C (0.49) HTR2AHTR2CHTR2BHRH3KDM1A
SCHEMBL11295418 0.66 HTR2A (0.40) HTR2AHTR2CHTR2BHRH3KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0004591-B1 SHELL CATALYST, PROCESS FOR ITS PREPARATION AND ITS USE FOR THE PREPARATION OF ANTHRAQUINONES BASF Aktiengesellschaft (DE) 1982-03-31 EP disclosed
US-4255285-A FOR THE CATALYTIC OXIDATION OF A 1-PHENYLINDAN TO AN ANTHRAQUINONE; ATOMIZING AN AQUEOUS VANADIUM COMPOUND TO COAT AND ROAST MOVING CARRIER PARTICLES BASF AKTIENGESELLSCHAFT (DE) 1981-03-10 US disclosed
EP-0004591-A1 Shell catalyst, process for its preparation and its use for the preparation of anthraquinones BASF Aktiengesellschaft (DE) 1979-10-17 EP disclosed