SCHEMBL8556345

SCHEMBL8556345

Cc1ccc(-c2oc(Cc3ccccc3)nc2NS(=O)(=O)c2ccccc2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
FFAR4 Q5NUL3 1/20 0.43
TSHR P16473 1/20 0.41
KDM4E B2RXH2 6/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 2/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
METAP2 P50579 2/20 0.38
SLC40A1 Q9NP59 1/20 0.38

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
SCHEMBL8555047 0.92 ALDH1A1 (0.43) ALDH1A1MAPTFFAR4TSHRKDM4E
SCHEMBL8558352 0.90 MAPT (0.42) ALDH1A1MAPTFFAR4TSHRKDM4E
SCHEMBL8553814 0.90 MAPT (0.45) ALDH1A1MAPTTSHRKDM4EHTT
SCHEMBL8561427 0.90 ALDH1A1 (0.42) ALDH1A1MAPTTSHRKDM4EMEN1
SCHEMBL8556712 0.90 MAPT (0.42) ALDH1A1MAPTTSHRKDM4EMEN1
SCHEMBL8555761 0.89 MAPT (0.46) ALDH1A1MAPTTSHRKDM4EMEN1
SCHEMBL8560574 0.84 MAPT (0.46) ALDH1A1MAPTTSHRKDM4EMEN1
SCHEMBL8560132 0.84 MEN1 (0.47) ALDH1A1MAPTTSHRKDM4EMEN1
SCHEMBL8557996 0.84 MAPT (0.46) ALDH1A1MAPTFFAR4TSHRSLC40A1
SCHEMBL8554836 0.83 ALDH1A1 (0.48) ALDH1A1MAPTFFAR4TSHRMEN1

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