SCHEMBL8604235

SCHEMBL8604235

COc1ccc(NS(=O)(=O)C(OC)(C(N)=O)c2ccccc2)cc1C(=O)CCCCCl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 4/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC8 Q9BY41 2/20 0.37
HTR6 P50406 1/20 0.36
HSD11B1 P28845 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CAPN1 P07384 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
MAPK1 P28482 2/20 0.34
FABP5 Q01469 2/20 0.34

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
SCHEMBL8570504 0.80 HTR6 (0.52) HTR6HSD11B1MEN1KMT2AALDH1A1
SCHEMBL8572431 0.76 LMNA (0.61) HDAC1HDAC8MEN1KMT2AALDH1A1
SCHEMBL8573946 0.75 HDAC8 (0.40) FABP4HDAC1HDAC8HSD11B1MEN1
SCHEMBL8567801 0.73 KCNK3 (0.55) MEN1KMT2AALDH1A1POLBLMNA
SCHEMBL8574479 0.73 ALDH1A1 (0.52) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL8574070 0.71 ALDH1A1 (0.51) HDAC1HDAC8MEN1KMT2AALDH1A1
SCHEMBL8569681 0.70 HTR2A (0.56) HDAC1HDAC8HSD11B1MEN1KMT2A
SCHEMBL8570812 0.70 GRM4 (0.54) HDAC1HDAC8MEN1KMT2AALDH1A1
SCHEMBL8572525 0.68 ALDH1A1 (0.56) HDAC1HDAC8MEN1KMT2AALDH1A1
SCHEMBL8569833 0.68 HSD11B1 (0.48) HDAC1HDAC8HSD11B1MEN1KMT2A

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