SCHEMBL7978016

SCHEMBL7978016

COC(=O)c1c(C)nc2c(c1-c1ccc(Cl)cc1)COC2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.47
LMNA P02545 10/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 3/20 0.43
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 6/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
MDM2 Q00987 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CACNB4 O00305 2/20 0.39
CACNA1A O00555 2/20 0.39
CACNA1G O43497 2/20 0.39
CACNG3 O60359 2/20 0.39
CACNA1F O60840 2/20 0.39

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
SCHEMBL7984061 0.88 CACNB4 (0.42) PLA2G2ALMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL7967385 0.87 FABP4 (0.51) PLA2G2ALMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL7979537 0.84 POLB (0.44) PLA2G2ALMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL7983845 0.83 LMNA (0.50) PLA2G2ALMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL8801316 0.82 IMPDH2 (0.40) PLA2G2ALMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL8802957 0.80 ESRRB (0.38) SMN1; SMN2MAPTNPC1RAB9AKDM4E
SCHEMBL30209788 0.79 KDM4E (0.61) PLA2G2ALMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL7979243 0.72 CACNB4 (0.38) LMNASMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL7979237 0.71 LMNA (0.53) PLA2G2ALMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL23574375 0.70 KDM4E (0.60) PLA2G2ALMNASMN1; SMN2ALDH1A1MAPT

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-6194428-B1 BRAIN DISORDERS; PSYCHOLOGICAL DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2001-02-27 US claimed