SCHEMBL8555566

SCHEMBL8555566

O=C(O)c1ccccc1OCc1nc(NS(=O)(=O)c2ccccc2)c(-c2ccccc2)o1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.41
VDR P11473 1/20 0.41
CCR1 P32246 1/20 0.40
CTNNB1 P35222 1/20 0.40
APEX1 P27695 1/20 0.40
ACLY P53396 1/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 2/20 0.39
EDNRA P25101 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
METAP2 P50579 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
EDNRB P24530 1/20 0.37
KMT2A Q03164 1/20 0.37
PTK2B Q14289 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
SCHEMBL8556135 0.85 MAPT (0.48) NPC1ALDH1A1RXFP1KDM4ELMNA
SCHEMBL8558438 0.85 HPGD (0.41) ALDH1A1KDM4ELMNAHSD17B10KMT2A
SCHEMBL8561913 0.83 AR (0.46) NPC1ALDH1A1RXFP1KDM4ELMNA
SCHEMBL8558890 0.83 CCR2 (0.41) CCR2VDRCCR1APEX1ACLY
SCHEMBL8554235 0.83 MEN1 (0.45) KMT2A
SCHEMBL9026048 0.81 MEN1 (0.50) KMT2A
SCHEMBL8555123 0.81 AR (0.51) NPC1RXFP1KDM4EKMT2A
SCHEMBL8558557 0.81 MEN1 (0.48) VDRACLYNPC1ALDH1A1KMT2A
SCHEMBL8557604 0.79 AR (0.51) ALDH1A1RXFP1KDM4EKMT2A
SCHEMBL9026868 0.79 MAPT (0.42) RXFP1KDM4ELMNAHSD17B10KMT2A

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