SCHEMBL5182005

SCHEMBL5182005

Cc1cc(N(C)CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1Oc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cn1.Cc1cc(N(C)CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1Oc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.43
KDM4E B2RXH2 2/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 6/20 0.43
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.43
ALOX12 P18054 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FAAH O00519 2/20 0.42
HTT P42858 1/20 0.42
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
CTNNB1 P35222 1/20 0.41
TCF7L2 Q9NQB0 1/20 0.41

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
SCHEMBL3027602 1.00 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL3031517 0.94 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL3027056 0.93 SMN1; SMN2 (0.52) SMN1; SMN2MEN1KMT2AMAPTKDM4E
SCHEMBL3023069 0.92 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL3128730 0.91 ABCB1 (0.44) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL3021052 0.89 HIF1A (0.51) MAPTNPC1KDM4ERAB9ALMNA
SCHEMBL3027608 0.88 MEN1 (0.45) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL3031690 0.88 MAPT (0.49) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL3026410 0.86 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL3027592 0.85 MEN1 (0.48) SMN1; SMN2MEN1KMT2AMAPTNPC1

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-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO disclosed