SCHEMBL7473467

SCHEMBL7473467

COC(=O)c1ccc(Cl)c(OCc2nc(C(C)(C)C)cs2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.45
KDM4E B2RXH2 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 5/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
HDAC8 Q9BY41 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
MRGPRX4 Q96LA9 4/20 0.39
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
SCD O00767 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
SCHEMBL7471233 0.89 NPC1 (0.44) NPC1KDM4ETDP1MAPTRAB9A
SCHEMBL7473893 0.88 NOTUM (0.44) NPC1KDM4ETDP1MAPTRAB9A
SCHEMBL7467705 0.88 MAPT (0.46) NPC1KDM4EMAPTRAB9AALDH1A1
SCHEMBL7468649 0.83 AR (0.47) NPC1MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL7467175 0.80 MAPT (0.44) NPC1KDM4ETDP1MAPTRAB9A
SCHEMBL27478197 0.80 CYSLTR1 (0.52) MAPTL3MBTL1MRGPRX4
SCHEMBL7471878 0.79 MAPT (0.53) NPC1KDM4ETDP1MAPTRAB9A
SCHEMBL7471261 0.78 CA12 (0.49) HTTHDAC8TSHRMRGPRX4
SCHEMBL7471939 0.76 MRGPRX4 (0.41) NPC1KDM4ETDP1RAB9AALDH1A1
SCHEMBL7477249 0.73 MAPT (0.46) NPC1MAPTRAB9AKMT2A

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