SCHEMBL8558066

SCHEMBL8558066

Cc1cc(-c2nc(Cc3ccccc3)oc2-c2ccccc2S(N)(=O)=O)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 5/20 0.40
RXRA P19793 6/20 0.39
RXRB P28702 6/20 0.39
RXRG P48443 3/20 0.39
MAOB P27338 2/20 0.39
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
EPHX2 P34913 1/20 0.38
NR4A1 P22736 1/20 0.38
NR4A3 Q92570 1/20 0.38
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA6 P23280 2/20 0.37
CA7 P43166 2/20 0.37
CA13 Q8N1Q1 2/20 0.37
CA9 Q16790 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 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
SCHEMBL8560020 0.92 RXRA (0.39) NR4A2RXRARXRBRXRGMAOB
SCHEMBL8559262 0.92 NR4A2 (0.40) NR4A2RXRARXRBRXRGMAOB
SCHEMBL8561401 0.91 MAOB (0.41) NR4A2RXRARXRBRXRGMAOB
SCHEMBL8559396 0.91 RXRA (0.48) NR4A2RXRARXRBRXRGMAOB
SCHEMBL8556992 0.88 PTGS1 (0.40) NR4A2RXRARXRBRXRGMAOB
SCHEMBL8559470 0.88 RXRA (0.41) NR4A2RXRARXRBRXRGMAOB
SCHEMBL8557215 0.86 PTGS2 (0.42) NR4A2RXRARXRBMAOBPTGS1
SCHEMBL7502868 0.86 RXRA (0.45) RXRARXRBRXRGPTGS1PTGS2
SCHEMBL8561125 0.86 PTGS2 (0.47) NR4A2RXRARXRBRXRGPTGS1
SCHEMBL8555226 0.86 RXRA (0.46) NR4A2RXRARXRBRXRGPTGS1

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-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed