SCHEMBL3958683

SCHEMBL3958683

O=C(Nc1cc(CNCCc2ccccc2)ccc1Cl)c1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.53
RAB9A P51151 1/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
MAPT P10636 1/20 0.52
ALDH1A1 P00352 4/20 0.50
NAMPT P43490 2/20 0.49
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ICOSLG O75144 1/20 0.46
ICOS Q9Y6W8 1/20 0.46

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
SCHEMBL3957848 0.92 HDAC1 (0.58) HDAC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL3957764 0.88 HDAC1 (0.56) HDAC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL3879832 0.85 KDR (0.48) HDAC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL3959300 0.84 SMN1; SMN2 (0.60) HDAC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL3955981 0.83 ALDH1A1 (0.51) HDAC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL3957596 0.83 HDAC1 (0.49) HDAC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL3960045 0.81 HDAC1 (0.53) HDAC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL3954529 0.81 MAPK1 (0.56) HDAC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL3957756 0.81 NPC1 (0.50) HDAC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL3954526 0.81 MEN1 (0.49) HDAC1RAB9ALMNASMN1; SMN2MAPT

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-2079525-A1 CALCIUM RECEPTOR MODULATING AGENTS Amgen Inc. (US) 2009-07-22 EP claimed
WO-2008057282-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. (US) 2008-05-15 WO claimed
EP-2079525-A1 CALCIUM RECEPTOR MODULATING AGENTS Amgen Inc. (US) 2009-07-22 EP disclosed
WO-2008057282-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. (US) 2008-05-15 WO disclosed