SCHEMBL27344871

SCHEMBL27344871

[CH]1CC1c1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A4 P31645 7/20 0.46
SLC6A2 P23975 3/20 0.46
SLC6A3 Q01959 3/20 0.46
CYP2D6 P10635 1/20 0.46
KCNH2 Q12809 1/20 0.46
DRD2 P14416 1/20 0.42
CYP2A6 P11509 3/20 0.41
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 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
SCHEMBL4427570 0.80 KDM4E (0.47) KDM4EHTR2CHTR2BSLC6A4SLC6A2
SCHEMBL17054515 0.78 HTR2C (0.43) KDM4EHTR2CHTR2BSLC6A4SLC6A2
SCHEMBL5405317 0.76 SLC6A4 (0.59) KDM4EHTR2CHTR2BSLC6A4SLC6A2
SCHEMBL17054581 0.76 SLC6A4 (0.42) KDM4EHTR2CHTR2BSLC6A4SLC6A2
SCHEMBL27265289 0.76 KDM4E (0.47) KDM4EHTR2CHTR2BSLC6A4SLC6A2
SCHEMBL5408877 0.76 KDM4E (0.47) KDM4EHTR2CHTR2BSLC6A4SLC6A2
SCHEMBL30800964 0.76 KDM4E (0.47) KDM4EHTR2CHTR2BSLC6A4SLC6A2
SCHEMBL16398421 0.76 KDM4E (0.47) KDM4EHTR2CHTR2BSLC6A4SLC6A2
SCHEMBL27916822 0.74 POLB (0.53) KDM4ESLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL5404857 0.73 KDM4E (0.49) KDM4EHTR2CHTR2BSLC6A4SLC6A2

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
CN-1045576-A Pesticide WELLCOME FOUND (GB) 1990-09-26 CN disclosed