SCHEMBL3625792

SCHEMBL3625792

CCCOc1cc(Br)ccc1COc1ccc(C(F)(F)F)cc1-c1ccnc(N2CCC(C(=O)O)CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CCR5 P51681 1/20 0.38
EPHX2 P34913 1/20 0.37
IDH2 P48735 1/20 0.37
PTGER1 P34995 3/20 0.37
GUCY1B2 O75343 2/20 0.37
GUCY1A2 P33402 2/20 0.37
GUCY1A1 Q02108 2/20 0.37
GUCY1B1 Q02153 2/20 0.37
S1PR1 P21453 2/20 0.36
PTGDR2 Q9Y5Y4 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
SCHEMBL3624510 0.92 CCR5 (0.42) LMNAL3MBTL1KDM4EMEN1USP2
SCHEMBL3622280 0.90 LMNA (0.41) LMNAL3MBTL1KDM4EMEN1USP2
SCHEMBL3625821 0.86 GUCY1B2 (0.42) LMNAL3MBTL1KDM4EMEN1USP2
SCHEMBL3628788 0.83 KMT2A (0.45) LMNAL3MBTL1KDM4EMEN1USP2
SCHEMBL8028835 0.81 L3MBTL1 (0.46) L3MBTL1KDM4EMEN1TSHRKMT2A
SCHEMBL3627330 0.79 GUCY1B2 (0.40) GUCY1B2GUCY1A2GUCY1A1GUCY1B1S1PR1
SCHEMBL3627416 0.79 S1PR1 (0.41) KDM4ETSHREPHX2GUCY1B2GUCY1A2
SCHEMBL3629056 0.78 GUCY1B2 (0.45) LMNAL3MBTL1KDM4EMEN1USP2
SCHEMBL3627162 0.78 PTGDR2 (0.43) LMNAL3MBTL1KDM4EMEN1USP2
SCHEMBL3627141 0.77 SYK (0.38) LMNAL3MBTL1KDM4EMEN1USP2

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
WO-2010015653-A1 PYRIMIDINE DERIVATIVES AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO disclosed
WO-2010015653-A1 PYRIMIDINE DERIVATIVES AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO disclosed