SCHEMBL5145690

SCHEMBL5145690

O=S(=O)(c1ccc(Oc2ccccn2)cc1)N1CCc2[c]ncnc2C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
LTA4H P09960 1/20 0.38
PTGS2 P35354 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
LMNA P02545 6/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
USP2 O75604 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
MMP1 P03956 1/20 0.36
MMP13 P45452 1/20 0.36
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CFTR P13569 1/20 0.35
PKM P14618 1/20 0.34

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
SCHEMBL5142465 0.86 LMNA (0.40) KMT2AMEN1MMP2MMP9LMNA
SCHEMBL5141450 0.83 MMP1 (0.40) KMT2AMEN1MMP2LMNASMN1; SMN2
SCHEMBL5141453 0.82 L3MBTL1 (0.42) KMT2AMEN1MMP2MMP9LMNA
SCHEMBL4989425 0.80 MMP2 (0.40) KMT2AMEN1LTA4HPTGS2MMP2
SCHEMBL4989418 0.80 MEN1 (0.37) KMT2AMEN1LTA4HPTGS2MMP2
SCHEMBL5142653 0.80 MEN1 (0.43) KMT2AMEN1
SCHEMBL5145792 0.80 LMNA (0.41) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL5141474 0.76 HSD11B1 (0.45) KMT2AMEN1ALDH1A1KDM4E
SCHEMBL5145783 0.73 FAAH (0.40) KMT2AMEN1HTTALDH1A1
SCHEMBL5142759 0.72 MEN1 (0.43) KMT2AMEN1LMNASMN1; SMN2NPSR1

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
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US claimed