SCHEMBL7970069

SCHEMBL7970069

O=c1[nH]c2cc(OCCN3CCOCC3)c(Br)cc2n2cncc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
MAOB P27338 1/20 0.40
LCK P06239 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
PARP1 P09874 2/20 0.38
HRH3 Q9Y5N1 3/20 0.38
KDM4E B2RXH2 2/20 0.38
RCE1 Q9Y256 1/20 0.38
TSHR P16473 1/20 0.37
SRC P12931 1/20 0.37
IMPDH2 P12268 1/20 0.36
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
KDR P35968 1/20 0.36
TIPARP Q7Z3E1 1/20 0.36

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
SCHEMBL7983539 0.77 LCK (0.53) POLBLCKALDH1A1MAPTHTT
SCHEMBL25318990 0.70 POLB (0.46) POLBMAOBALDH1A1MAPTHTT
SCHEMBL21676385 0.69 SYK (0.55) POLBMAOBALDH1A1KDM4ERCE1
SCHEMBL31026839 0.69 TP53 (0.35)
SCHEMBL25429303 0.68 POLB (0.46) POLBMAOBALDH1A1MAPTHTT
SCHEMBL15748775 0.67 POLB (0.57) POLBMAOBALDH1A1MAPTHTT
SCHEMBL30508860 0.67 POLB (0.53) POLBMAOBALDH1A1MAPTHTT
SCHEMBL31353079 0.66 GRIN2D (0.36) LCKALDH1A1MAPTHTTKDM4E
SCHEMBL20532682 0.66 POLB (0.52) POLBMAOBALDH1A1MAPTHTT
SCHEMBL31026868 0.66 GRIA1 (0.36)

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-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 US disclosed