SCHEMBL8213638

SCHEMBL8213638

COC(=O)c1ccc(N)cc1-c1nccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
GLA P06280 2/20 0.42
HPGD P15428 3/20 0.40
MAPT P10636 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ABL1 P00519 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DHFR P00374 1/20 0.38
CHEK2 O96017 1/20 0.38
TUBB4A P04350 2/20 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
SCHEMBL28758910 0.80 SLC6A3 (0.48) KDM4EALDH1A1ATMHSD17B10LMNA
SCHEMBL27757223 0.80 ALDH1A1 (0.41) GAAKDM4EALDH1A1GLAHPGD
SCHEMBL8205734 0.80 MAPT (0.43) GAAKDM4EALDH1A1MAPTNPC1
SCHEMBL20773375 0.77 CYP46A1 (0.58) ALDH1A1NPC1RAB9ASMN1; SMN2TUBB4A
SCHEMBL29228521 0.76 NNMT (0.41) GAAKDM4EALDH1A1GLARAB9A
SCHEMBL30280895 0.74 CISD2 (0.40) GAAKDM4EALDH1A1GLAHPGD
SCHEMBL7907897 0.74 MAPK14 (0.45) ABL1CHEK2SMPD3
SCHEMBL29228590 0.74 KMT2A (0.50) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL11903297 0.73 ENPP3 (0.42) ALDH1A1CASP1HSD17B10
SCHEMBL30960678 0.73 HCRTR2 (0.41) GAAKDM4EALDH1A1GLARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054865-A1 FARNESYL TRANSFERASE INHIBITORS AstraZeneca UK Limited (GB) 2000-11-29 EP disclosed
WO-1999041235-A1 FARNESYL TRANSFERASE INHIBITORS ASTRAZENECA UK LIMITED (GB) 1999-08-19 WO disclosed