SCHEMBL28776455

SCHEMBL28776455

C[C@H](c1ccccc1)n1cnc(N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 2/20 0.49
KDM5A P29375 1/20 0.49
PHF8 Q9UPP1 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.44
CYP17A1 P05093 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP26A1 O43174 1/20 0.40
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
CASP1 P29466 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ADA P00813 1/20 0.37
MC4R P32245 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 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
SCHEMBL18081023 1.00 KDM5B (0.49) KDM5BKDM5APHF8MEN1KMT2A
SCHEMBL21198931 0.83 CYP17A1 (0.49) KDM5BKDM5ACYP17A1KDM4EALDH1A1
SCHEMBL18081014 0.80 KDM5B (0.50) KDM5BKDM5APHF8MEN1KMT2A
SCHEMBL2980379 0.79 PDE2A (0.53) KDM5B
SCHEMBL20009013 0.79 KDM5B (0.49) KDM5BKDM5APHF8MEN1KMT2A
SCHEMBL18038826 0.79 KDM5B (0.49) KDM5BKDM5APHF8MEN1KMT2A
SCHEMBL27744439 0.79 KDM5B (0.49) KDM5BKDM5APHF8MEN1KMT2A
SCHEMBL27744440 0.79 KDM5B (0.49) KDM5BKDM5APHF8MEN1KMT2A
SCHEMBL30268927 0.78 KDM5B (0.49) KDM5BKDM5APHF8MEN1KMT2A
SCHEMBL21199626 0.75 RIPK1 (0.37) KDM5BCYP17A1ADA

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
CN-101309687-A Hydroxy and alkoxy substituted 1h-imidazoquinolines and methods COLEY PHARM GROUP INC (US) 2008-11-19 CN disclosed