SCHEMBL3834868

SCHEMBL3834868

CCN(c1cccnc1)c1nc(N(Cc2ccc(OC)cc2OC)C(=O)OC(C)(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
MAPT P10636 3/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 7/20 0.35
KDM4E B2RXH2 5/20 0.35
HPGD P15428 2/20 0.35
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 3/20 0.34
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2D6 P10635 3/20 0.33
CLK4 Q9HAZ1 3/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2C9 P11712 1/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL3830662 0.91 POLB (0.43) POLBMAPTNPC1LMNASMN1; SMN2
SCHEMBL1265336 0.81 ALDH1A1 (0.38) POLBMAPTNPC1LMNASMN1; SMN2
SCHEMBL1265335 0.81 ALDH1A1 (0.38) POLBMAPTNPC1LMNASMN1; SMN2
SCHEMBL3834871 0.80 MAPT (0.39) POLBMAPTNPC1LMNASMN1; SMN2
SCHEMBL30705376 0.80 POLB (0.44) POLBLMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL13732198 0.78 LMNA (0.42) POLBMAPTNPC1LMNASMN1; SMN2
SCHEMBL1266597 0.71 KDM4E (0.40) POLBMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL1266596 0.71 KDM4E (0.40) POLBMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL1265629 0.71 ALDH1A1 (0.43) POLBMAPTNPC1LMNASMN1; SMN2
SCHEMBL1265634 0.71 ALDH1A1 (0.43) POLBMAPTNPC1LMNASMN1; SMN2

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-2099800-A1 7-SUBSTITUTED PURINE DERIVATIVES FOR IMMUNOSUPPRESSION Pharmacopeia, LLC (US) 2009-09-16 EP disclosed
WO-2008060301-A1 7-SUBSTITUTED PURINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA , LLC (US) 2008-05-22 WO disclosed
EP-1874772-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-01-09 EP disclosed
WO-2006108103-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2006-10-12 WO disclosed