SCHEMBL7466568

SCHEMBL7466568

CC(C)(C)c1csc(COc2cc(C(=O)O)ccc2[N+](=O)[O-])n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 5/20 0.45
MAX P61244 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 2/20 0.41
EP300 Q09472 1/20 0.41
HIF1A Q16665 1/20 0.41
CASP6 P55212 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
TTR P02766 1/20 0.40
MAPT P10636 2/20 0.38
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL7468649 0.90 AR (0.47) MYCMAXL3MBTL1AKR1C3AKR1C2
SCHEMBL7471939 0.84 MRGPRX4 (0.41) TSHRTTRMEN1ALDH1A1RAB9A
SCHEMBL7471261 0.83 CA12 (0.49) TSHR
SCHEMBL7471233 0.83 NPC1 (0.44) MAPTMEN1ALDH1A1GAARAB9A
SCHEMBL7470170 0.76 NR4A2 (0.56) RAB9AKMT2A
SCHEMBL7473893 0.73 NOTUM (0.44) L3MBTL1MAPTNPSR1MEN1ALDH1A1
SCHEMBL3537490 0.73 MAPT (0.62) MYCMAXTSHREP300HIF1A
SCHEMBL7473467 0.72 NPC1 (0.45) L3MBTL1TSHRMAPTMEN1ALDH1A1
SCHEMBL30082870 0.72 MYC (0.67) MYCMAXL3MBTL1TSHRCASP6
SCHEMBL528177 0.72 MYC (0.67) MYCMAXL3MBTL1TSHRCASP6

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-0786457-B1 AZOLE DERIVATIVES YAMANOUCHI PHARMA CO LTD (JP) 2002-05-29 EP disclosed
US-5981559-A USEFUL IN PREVENTING OR TREATING ALLERGIC DISEASES, ISCHEMIC HEART DISEASES OR ISCHEMIC BRAIN DISEASES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US disclosed
EP-0786457-A1 AZOLE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-07-30 EP disclosed