SCHEMBL8574255

SCHEMBL8574255

COc1cc(OC)c(C(=O)CCCCCl)cc1NS(=O)(=O)c1ccc(C(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 14/20 0.62
HTR2B P41595 14/20 0.62
HTR2A P28223 9/20 0.62
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
ALDH1A1 P00352 4/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL8573905 0.91 HTR2C (0.62) HTR2CHTR2BHTR2AMEN1KMT2A
SCHEMBL8572332 0.90 HTR2C (0.53) HTR2CHTR2BHTR2AMEN1KMT2A
SCHEMBL8570870 0.89 HTR2C (0.61) HTR2CHTR2BHTR2AMEN1KMT2A
SCHEMBL8567723 0.89 HTR2C (0.62) HTR2CHTR2BHTR2AMEN1KMT2A
SCHEMBL8574314 0.88 HTR2C (0.60) HTR2CHTR2BHTR2AMEN1KMT2A
SCHEMBL8576060 0.87 ALDH1A1 (0.60) HTR2CHTR2BHTR2AMEN1KMT2A
SCHEMBL8569901 0.86 HTR2C (0.62) HTR2CHTR2BHTR2AMEN1KMT2A
SCHEMBL8809608 0.85 MEN1 (0.55) HTR2CHTR2BHTR2AMEN1KMT2A
SCHEMBL8570844 0.85 HTR2C (0.63) HTR2CHTR2BHTR2AMEN1KMT2A
SCHEMBL8811616 0.85 HTR2C (0.63) HTR2CHTR2BHTR2AMEN1KMT2A

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-5739336-A SELECTIVE 5-HYDROXYTRYPTAMINE-2C RECEPTOR ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1998-04-14 US disclosed