SCHEMBL5142171

SCHEMBL5142171

CCCCCNc1nnc(Cl)c2cc(C(=O)O)ccc12

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 6/20 0.48
CSNK2A1 P68400 7/20 0.42
CSNK2A2 P19784 4/20 0.42
CSNK2B P67870 3/20 0.42
XDH P47989 1/20 0.39
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL4991914 0.79 HCAR3 (0.41) HCAR3CSNK2A1CSNK2A2CSNK2BTSHR
SCHEMBL4990576 0.78 CSNK2A1 (0.54) CSNK2A1CSNK2A2CSNK2BTP53
SCHEMBL4984420 0.78 ALDH1A1 (0.60) HCAR3CSNK2A1CSNK2A2CSNK2B
SCHEMBL24312831 0.76 SOD1 (0.55) TP53
SCHEMBL4991890 0.75 TSHR (0.50) TP53TSHR
SCHEMBL6649636 0.74 HCAR3 (0.52) HCAR3XDHTP53TSHR
Hydrochloric Acid SCHEMBL10456360 0.73 TSHR (0.48) TP53TSHR
SCHEMBL4991719 0.73 HCAR3 (0.41) HCAR3CSNK2A1CSNK2A2CSNK2BTSHR
SCHEMBL4994161 0.72 ALDH1A1 (0.60) HCAR3CSNK2A1
SCHEMBL4986819 0.72 CSNK2A1 (0.51) CSNK2A1CSNK2A2CSNK2BTP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2131656-A2 PHTHALAZINE DERIVATIVES Forest Laboratories Holdings Limited (BM) 2009-12-16 EP claimed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO claimed