SCHEMBL1574516

SCHEMBL1574516

CCCCCc1ccc2cn[nH]c2n1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.50
RECQL P46063 1/20 0.38
ALDH1A1 P00352 1/20 0.35
ADORA3 P0DMS8 2/20 0.35
LTB4R Q15722 1/20 0.35
ADORA1 P30542 1/20 0.35
ADORA2A P29274 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL12123985 0.80 MAPT (0.38) RECQLALDH1A1ADORA3ADORA1ADORA2A
SCHEMBL12807007 0.76 KCNH2 (0.50) KCNH2LTB4R
SCHEMBL26048631 0.76 KCNH2 (0.50) KCNH2LTB4R
SCHEMBL30459461 0.74 KCNH2 (0.61) KCNH2ALDH1A1ADORA3LTB4RADORA2A
SCHEMBL29028490 0.74 KCNH2 (0.61) KCNH2ALDH1A1ADORA3LTB4RADORA2A
SCHEMBL1574513 0.72 KCNH2 (0.50) KCNH2LTB4R
SCHEMBL3260370 0.72 XDH (0.39) KCNH2RECQLALDH1A1ADORA3ADORA1
SCHEMBL25438253 0.72 KCNH2 (0.59) KCNH2ALDH1A1ADORA3LTB4RADORA2A
SCHEMBL31026592 0.72 KCNH2 (0.64) KCNH2ALDH1A1ADORA3LTB4RADORA2A
SCHEMBL10531797 0.72 KCNH2 (0.64) KCNH2ALDH1A1ADORA3LTB4RADORA2A

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