SCHEMBL1574513

SCHEMBL1574513

CCCCCc1ccc2c[nH]nc2n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.50
LTB4R Q15722 1/20 0.35
PDPK1 O15530 1/20 0.35
CCNB2 O95067 1/20 0.33
CCNE2 O96020 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.32
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32

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
SCHEMBL30459461 0.74 KCNH2 (0.61) KCNH2LTB4R
SCHEMBL29028490 0.74 KCNH2 (0.61) KCNH2LTB4R
SCHEMBL5809787 0.73 CCNE2 (0.34) KCNH2CCNB2CCNE2CDK1CCNB1
SCHEMBL1574516 0.72 KCNH2 (0.50) KCNH2LTB4R
SCHEMBL4566027 0.72 KCNH2 (0.35) KCNH2CCNB2CCNE2CDK1CCNB1
SCHEMBL25438253 0.72 KCNH2 (0.59) KCNH2LTB4R
SCHEMBL10531797 0.72 KCNH2 (0.64) KCNH2LTB4R
SCHEMBL31026592 0.72 KCNH2 (0.64) KCNH2LTB4R
SCHEMBL10511946 0.72 KCNH2 (0.64) KCNH2LTB4R
SCHEMBL10338656 0.70 KCNH2 (0.55) KCNH2LTB4R

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
EP-2305274-A1 Use of WNT stimulators for treating demyelinating diseases Centre National de la Recherche Scientifique (CNRS) (FR) 2011-04-06 EP disclosed