SCHEMBL6689466

SCHEMBL6689466

Cc1cccc(C(N)=O)c1Oc1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
MKNK1 Q9BUB5 2/20 0.47
MKNK2 Q9HBH9 2/20 0.47
TDP1 Q9NUW8 3/20 0.46
SIRT3 Q9NTG7 2/20 0.46
LMNA P02545 1/20 0.45
SYK P43405 2/20 0.43
NOTUM Q6P988 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
SARM1 Q6SZW1 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
SIRT4 Q9Y6E7 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 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
SCHEMBL30163333 0.82 LMNA (0.60) KDM4ETDP1LMNANOTUMSMN1; SMN2
SCHEMBL6689475 0.81 SMN1; SMN2 (0.51) KDM4EMKNK1MKNK2TDP1SIRT3
SCHEMBL1702138 0.77 CTNNB1 (0.68) KDM4EMKNK1MKNK2TDP1SIRT3
SCHEMBL30060692 0.77 CTNNB1 (0.68) KDM4EMKNK1MKNK2TDP1SIRT3
SCHEMBL4789958 0.76 CTNNB1 (0.47) KDM4EMKNK1MKNK2LMNAALDH1A1
SCHEMBL4982331 0.74 CSNK1A1 (0.46) KDM4EMKNK2TDP1SIRT3SMN1; SMN2
SCHEMBL6237449 0.74 MKNK1 (0.62) KDM4EMKNK1MKNK2TDP1SIRT3
SCHEMBL1863405 0.73 ALDH1A1 (0.49) KDM4ELMNASMN1; SMN2ALDH1A1HTT
SCHEMBL3697056 0.73 PARP10 (0.53) KDM4ELMNASMN1; SMN2ALDH1A1HTT
SCHEMBL28206486 0.72 RAB9A (0.57) KDM4ETDP1SMN1; SMN2ALDH1A1NPC1

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-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP claimed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 WO claimed