SCHEMBL7303932

SCHEMBL7303932

COc1ccccc1OC1C(=O)N=C(c2ccco2)NC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.40
SMN1; SMN2 Q16637 7/20 0.40
KDM4E B2RXH2 6/20 0.40
RAB9A P51151 3/20 0.40
HPGD P15428 3/20 0.40
NPC1 O15118 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 3/20 0.38
FYN P06241 1/20 0.38
MAPT P10636 4/20 0.38
POLB P06746 1/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
MEN1 O00255 7/20 0.37
KMT2A Q03164 7/20 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
SCHEMBL627191 0.80 RAB9A (0.35) ALDH1A1SMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL7297774 0.80 FYN (0.39) ALDH1A1SMN1; SMN2KDM4ETDP1LMNA
SCHEMBL7293097 0.75 STK10 (0.40) FYNMAPK1CYP3A4
SCHEMBL7444756 0.74 FYN (0.39) ALDH1A1SMN1; SMN2KDM4EFYNMAPT
SCHEMBL7303598 0.74 CA12 (0.35) ALDH1A1SMN1; SMN2KDM4ERAB9AHPGD
SCHEMBL7293888 0.74 CA12 (0.35) ALDH1A1SMN1; SMN2KDM4ERAB9AHPGD
SCHEMBL7296783 0.73 DDB1 (0.37) ALDH1A1POLBPKM
SCHEMBL7201836 0.73 CA12 (0.34) ALDH1A1SMN1; SMN2KDM4ETDP1MAPT
SCHEMBL13430583 0.72
SCHEMBL6964330 0.72 SLK (0.42) ALDH1A1LMNAHSD17B10MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0526708-B1 Sulfonamide, preparation and use thereof as medicine and intermediate HOFFMANN LA ROCHE (CH) 2000-10-18 EP disclosed
US-5292740-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US disclosed
EP-0526708-A1 Sulfonamide, preparation and use thereof as medicine and intermediate F. HOFFMANN-LA ROCHE AG (CH) 1993-02-10 EP disclosed