SCHEMBL3924901

SCHEMBL3924901

COc1ccc(Cc2ncccn2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.66
LMNA P02545 6/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
ALDH1A1 P00352 4/20 0.55
USP2 O75604 2/20 0.55
CYP3A4 P08684 2/20 0.55
MAPK1 P28482 2/20 0.55
HIF1A Q16665 2/20 0.55
PDE10A Q9Y233 2/20 0.55
ALOX15 P16050 2/20 0.55
TSHR P16473 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
PDE2A O00408 1/20 0.55
ABCC4 O15439 1/20 0.55
PDE5A O76074 1/20 0.55
ABCB11 O95342 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
ALOX12 P18054 1/20 0.55

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
SCHEMBL28306283 0.81 ALOX15 (0.64) CA2LMNASMN1; SMN2ALDH1A1USP2
SCHEMBL2095593 0.80 CA2 (1.00) CA2LMNASMN1; SMN2ALDH1A1USP2
SCHEMBL10579506 0.80 PTGS2 (0.52) SMN1; SMN2ALDH1A1CYP3A4TSHRCYP2C19
SCHEMBL10626018 0.77 PDE10A (0.53) CA2LMNASMN1; SMN2ALDH1A1USP2
SCHEMBL11819246 0.77 PDE10A (0.56) CA2LMNASMN1; SMN2ALDH1A1USP2
SCHEMBL28164756 0.77 CA2 (0.91) CA2LMNASMN1; SMN2ALDH1A1USP2
SCHEMBL29449205 0.77 CA2 (0.91) CA2LMNASMN1; SMN2ALDH1A1USP2
SCHEMBL83495 0.76 CA2 (0.80) CA2LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL28097055 0.76 LTA4H (0.59) LMNASMN1; SMN2ALDH1A1MAPK1PDE10A
SCHEMBL11822901 0.74 PDE10A (0.58) CA2LMNASMN1; SMN2ALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2034965-A2 PROCESS FOR PREPARING A SOLID DOSAGE FORM UNIVERSITEIT GENT (BE) 2009-03-18 EP disclosed
WO-2008000453-A2 PROCESS FOR PREPARING A SOLID DOSAGE FORM UNIVERSITEIT GENT (BE) 2008-01-03 WO disclosed
EP-0580753-A1 PYRIMIDINE DERIVATIVES FOR ENHANCING ANTITUMOR ACTIVITY. PFIZER (US) 1994-02-02 EP disclosed
WO-1992018498-A1 PYRIMIDINE DERIVATIVES FOR ENHANCING ANTITUMOR ACTIVITY PFIZER INC. (US) 1992-10-29 WO disclosed