SCHEMBL8558680

SCHEMBL8558680

Cc1ccccc1-c1nc(Cc2ccccc2)oc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 1/20 0.45
EDNRA P25101 4/20 0.42
EDNRB P24530 3/20 0.42
TSHR P16473 1/20 0.42
SLC40A1 Q9NP59 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LIMK2 P53671 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL8560355 0.89 ALDH1A1 (0.53) ALDH1A1MAPTHPGDLMNAEDNRA
SCHEMBL8554836 0.89 ALDH1A1 (0.48) ALDH1A1MAPTHPGDLMNAEDNRA
SCHEMBL8556753 0.89 ALDH1A1 (0.48) ALDH1A1MAPTHPGDLMNAEDNRA
SCHEMBL8553419 0.87 ALDH1A1 (0.50) ALDH1A1MAPTLMNAEDNRAEDNRB
SCHEMBL8559711 0.87 MAPT (0.47) ALDH1A1MAPTLMNAEDNRAEDNRB
SCHEMBL8557399 0.86 MAPT (0.49) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8560513 0.86 MAPT (0.49) ALDH1A1MAPTHPGDLMNAEDNRA
SCHEMBL8555122 0.86 ALDH1A1 (0.47) ALDH1A1MAPTHPGDLMNAEDNRA
SCHEMBL8556381 0.86 ALDH1A1 (0.47) ALDH1A1MAPTHPGDLMNAEDNRA
SCHEMBL8557951 0.85 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2LMNATSHR

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