SCHEMBL8561401

SCHEMBL8561401

Cc1ccc(-c2nc(Cc3ccccc3)oc2-c2ccccc2S(N)(=O)=O)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.41
RXRA P19793 3/20 0.40
RXRB P28702 3/20 0.40
NR4A2 P43354 3/20 0.40
GPR174 Q9BXC1 2/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXRG P48443 2/20 0.36
MAPT P10636 2/20 0.35
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
SCN9A Q15858 2/20 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
SCHEMBL8558256 0.92 MAOB (0.41) MAOBRXRARXRBNR4A2GPR174
SCHEMBL8557215 0.91 PTGS2 (0.42) MAOBRXRARXRBNR4A2GPR174
SCHEMBL8559262 0.91 NR4A2 (0.40) MAOBRXRARXRBNR4A2GPR174
SCHEMBL8556992 0.91 PTGS1 (0.40) MAOBRXRARXRBNR4A2GPR174
SCHEMBL8558066 0.91 NR4A2 (0.40) MAOBRXRARXRBNR4A2GPR174
SCHEMBL8560532 0.88 RXRA (0.46) RXRARXRBNR4A2ALDH1A1HPGD
SCHEMBL8555499 0.88 RXRA (0.49) MAOBRXRARXRBNR4A2NPC1
SCHEMBL8560360 0.87 RXRA (0.44) MAOBRXRARXRBNR4A2ALDH1A1
SCHEMBL8556768 0.87 NR4A2 (0.45) RXRARXRBNR4A2ALDH1A1LMNA
SCHEMBL8558684 0.86 RXRA (0.46) MAOBRXRARXRBNR4A2ALDH1A1

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