SCHEMBL4179814

SCHEMBL4179814

COc1cccc(CCNCc2cccc(C(N)=O)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
BCHE P06276 2/20 0.60
ALDH1A1 P00352 5/20 0.60
NPC1 O15118 1/20 0.60
TDP1 Q9NUW8 1/20 0.59
PARP1 P09874 1/20 0.58
CHRM2 P08172 2/20 0.56
MMP13 P45452 1/20 0.55
POLB P06746 1/20 0.55
HDAC1 Q13547 1/20 0.54
CHRM1 P11229 1/20 0.52
CHRM3 P20309 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL3957423 0.83 OPRM1 (0.63) KDM4EMEN1KMT2ABCHEALDH1A1
SCHEMBL11847836 0.83 OPRM1 (0.63) KDM4EMEN1KMT2AALDH1A1NPC1
SCHEMBL3646720 0.82 CA1 (0.66) KDM4EALDH1A1NPC1PARP1MMP13
Hydrochloric Acid SCHEMBL11847451 0.81 OPRM1 (0.61) KDM4EMEN1KMT2AALDH1A1NPC1
SCHEMBL3963921 0.81 CA1 (0.57) KDM4EMEN1KMT2AALDH1A1NPC1
SCHEMBL4165717 0.80 CHEK1 (0.50) KDM4EMEN1KMT2AALDH1A1PARP1
SCHEMBL29194688 0.80 BCHE (0.80) KDM4EMEN1KMT2ABCHEALDH1A1
SCHEMBL3692972 0.79 OPRM1 (0.76) KDM4EBCHEALDH1A1NPC1
SCHEMBL18114970 0.78 CHRM2 (0.77) KDM4EMEN1KMT2ABCHEALDH1A1
SCHEMBL4916089 0.78 CHRM2 (0.81) KDM4EMEN1KMT2ABCHEALDH1A1

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-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