SCHEMBL11308474

SCHEMBL11308474

CC1CC(c2ccccc2Br)c2cc(Br)ccc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.42
HTR2B P41595 11/20 0.42
HTR2A P28223 10/20 0.42
HRH3 Q9Y5N1 6/20 0.42
KDM1A O60341 1/20 0.39
DRD1 P21728 1/20 0.35
DRD5 P21918 1/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
CYP1A2 P05177 1/20 0.35
MAPK1 P28482 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL11294214 0.86 HTR2C (0.49) HTR2CHTR2BHTR2AHRH3KDM1A
SCHEMBL11298536 0.78 HTR2C (0.45) HTR2CHTR2BHTR2AHRH3KDM1A
SCHEMBL11295418 0.78 HTR2A (0.40) HTR2CHTR2BHTR2AHRH3KDM1A
SCHEMBL11296622 0.75 HTR2A (0.56) HTR2CHTR2BHTR2AHRH3KDM1A
SCHEMBL11298526 0.73 HTR2A (0.51) HTR2CHTR2BHTR2AHRH3KDM1A
SCHEMBL11290967 0.72 KDM1A (0.50) HTR2CHTR2BHTR2AHRH3KDM1A
SCHEMBL11295269 0.72 HTR2A (0.46) HTR2CHTR2BHTR2AHRH3KDM1A
SCHEMBL30015394 0.68 KDM1A (0.50) HTR2CHTR2BHTR2AKDM1ACA1
SCHEMBL30298332 0.67 ALDH1A1 (0.43) HTR2CHTR2BHTR2AKDM1A
SCHEMBL413656 0.67 ALDH1A1 (0.43) HTR2CHTR2BHTR2AKDM1A

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
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