SCHEMBL8554836

SCHEMBL8554836

Cc1ccc(-c2nc(Cc3ccccc3)oc2NS(=O)(=O)c2ccccc2)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
FFAR4 Q5NUL3 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.41
HPGD P15428 1/20 0.41
SLC40A1 Q9NP59 2/20 0.40
EDNRB P24530 3/20 0.39
EDNRA P25101 3/20 0.39
ITK Q08881 1/20 0.39
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
METAP2 P50579 2/20 0.38
MMP14 P50281 1/20 0.37

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
SCHEMBL8556753 0.92 ALDH1A1 (0.48) ALDH1A1MAPTFFAR4LMNATSHR
SCHEMBL8553419 0.90 ALDH1A1 (0.50) ALDH1A1MAPTLMNATSHRSLC40A1
SCHEMBL8559711 0.90 MAPT (0.47) ALDH1A1MAPTFFAR4LMNATSHR
SCHEMBL8559359 0.90 ALDH1A1 (0.47) ALDH1A1MAPTFFAR4LMNATSHR
SCHEMBL8555963 0.90 ALDH1A1 (0.47) ALDH1A1MAPTLMNATSHRHPGD
SCHEMBL8558680 0.89 ALDH1A1 (0.52) ALDH1A1MAPTLMNATSHRHPGD
SCHEMBL8560530 0.84 MAPT (0.52) ALDH1A1MAPTLMNATSHRHPGD
SCHEMBL8555498 0.84 ALDH1A1 (0.49) ALDH1A1MAPTLMNATSHRHPGD
SCHEMBL8560356 0.84 ALDH1A1 (0.51) ALDH1A1MAPTFFAR4LMNATSHR
SCHEMBL8560355 0.83 ALDH1A1 (0.53) ALDH1A1MAPTLMNATSHRHPGD

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