SCHEMBL7323299

SCHEMBL7323299

COc1ccc(S(=O)(=O)Nc2c(OC)cccc2C(=O)OCc2ccccc2)c(Cc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 3/20 0.44
MTNR1A P48039 3/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.43
MTNR1B P49286 3/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
ACHE P22303 2/20 0.42
TNF P01375 1/20 0.42
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 2/20 0.41
PKM P14618 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
SCHEMBL7323166 0.91 ALDH1A1 (0.44) MEN1KMT2AALDH1A1MTNR1AMTNR1B
SCHEMBL7317804 0.89 KMT2A (0.54) MEN1KMT2AALDH1A1MTNR1AMAPT
SCHEMBL7323187 0.89 MTNR1A (0.48) MEN1KMT2AALDH1A1MTNR1AMAPT
SCHEMBL7322098 0.86 MTNR1A (0.48) MEN1KMT2AMTNR1AMAPTPOLB
SCHEMBL7321080 0.85 MAPT (0.45) MEN1KMT2AMTNR1AMAPTPOLB
SCHEMBL7317547 0.84 MEN1 (0.42) MEN1KMT2AALDH1A1MTNR1AMTNR1B
SCHEMBL7324219 0.83 MEN1 (0.42) MEN1KMT2AALDH1A1MTNR1AMTNR1B
SCHEMBL7321962 0.82 HSP90AA1 (0.47) MEN1KMT2AALDH1A1MTNR1AMTNR1B
SCHEMBL7317479 0.82 TP53 (0.47) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL7317380 0.82 TP53 (0.47) MEN1KMT2AALDH1A1MTNR1AMTNR1B

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-5929097-A INHIBIT TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed