SCHEMBL5322211

SCHEMBL5322211

Fc1cccc(-c2nc(Cl)c3c(-c4ccccc4)csc3n2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
MAPT P10636 5/20 0.64
KDM4E B2RXH2 4/20 0.64
HPGD P15428 3/20 0.64
LMNA P02545 3/20 0.64
NPC1 O15118 2/20 0.64
SMN1; SMN2 Q16637 4/20 0.60
RAB9A P51151 2/20 0.60
CASP3 P42574 1/20 0.60
SENP8 Q96LD8 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
ESR1 P03372 4/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
TGM2 P21980 2/20 0.41
GAA P10253 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
FGFR1 P11362 1/20 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
SCHEMBL5324561 0.81 LMNA (0.60) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL23579792 0.81 MAPT (0.78) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL5322984 0.79 ALDH1A1 (0.67) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL5321783 0.76 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL2368408 0.76 LMNA (0.62) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL14414255 0.76 MAPT (0.62) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL5321831 0.76 ALDH1A1 (0.62) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL20665839 0.75 SMN1; SMN2 (1.00) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL30033875 0.75 SMN1; SMN2 (1.00) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL2368765 0.75 ALDH1A1 (0.60) ALDH1A1MAPTKDM4EHPGDLMNA

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
WO-2007102679-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME JE IL PHARMACEUTICAL CO., LTD. (KR) 2007-09-13 WO disclosed