SCHEMBL4585500

SCHEMBL4585500

O=Cc1ccnc(-c2nccc(C=O)n2)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.46
ALDH1A1 P00352 2/20 0.45
MPI P34949 1/20 0.45
KMT2A Q03164 1/20 0.45
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
KCNJ1 P48048 1/20 0.32
GRM4 Q14833 3/20 0.31
TRIM24 O15164 1/20 0.31
TRIM33 Q9UPN9 1/20 0.31
S1PR4 O95977 1/20 0.31
FGFR4 P22455 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CYP2A6 P11509 1/20 0.31
RRM2 P31350 1/20 0.30
SLC10A1 Q14973 1/20 0.30

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
SCHEMBL30132148 0.93 ALDH1A1 (0.50) CCR1ALDH1A1MPIKMT2ACCR5
SCHEMBL2678442 0.83 ALDH1A1 (0.49) CCR1ALDH1A1MPIKMT2A
SCHEMBL18002781 0.83 KMT2A (0.52) CCR1ALDH1A1MPIKMT2AHDAC6
SCHEMBL12538607 0.80 KMT2A (0.51) ALDH1A1MPIKMT2AS1PR4
SCHEMBL8538282 0.80 KDM4E (0.53) CCR1ALDH1A1MPIKMT2ACCR5
SCHEMBL29953306 0.79 ALDH1A1 (0.52) ALDH1A1MPIKMT2AGRM4
SCHEMBL18259395 0.79 ALDH1A1 (0.40) CCR1ALDH1A1MPIKMT2AGRM4
SCHEMBL29956097 0.78 CCR1 (0.44) CCR1ALDH1A1MPIKMT2ACCR5
SCHEMBL6750865 0.78 CCR1 (0.44) CCR1ALDH1A1MPIKMT2ACCR5
SCHEMBL20339367 0.78 ALDH1A1 (0.54) ALDH1A1MPIKMT2ATRIM24TRIM33

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-2008022633-A2 SEMICONDUCTING ADDITION POLYMERS HAVING A COLUMNAR STRUCTURE WERNER JOHANNES (DE) 2008-02-28 WO disclosed