SCHEMBL5798402

SCHEMBL5798402

C=CCC1(CC=C)C=CN=C(c2ccccn2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.36
LMNA P02545 4/20 0.36
CCR1 P32246 2/20 0.36
CCR5 P51681 2/20 0.36
CCR8 P51685 2/20 0.36
HIF1A Q16665 2/20 0.36
POLB P06746 2/20 0.36
METAP1 P53582 2/20 0.36
CYP1A2 P05177 1/20 0.36
BLM P54132 1/20 0.36
DOHH Q9BU89 1/20 0.36
P4HTM Q9NXG6 1/20 0.36
OPRD1 P41143 1/20 0.35
SLC2A1 P11166 1/20 0.35
ALDH1A1 P00352 5/20 0.33
TP53 P04637 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 4/20 0.33
HTT P42858 3/20 0.33
RAB9A P51151 3/20 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
SCHEMBL31482990 0.86 KDM4E (0.34) KDM4ELMNACCR1CCR5CCR8
SCHEMBL31482987 0.85 KDM4E (0.33) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7604029 0.84 KDM4E (0.39) KDM4ELMNACCR1CCR5CCR8
SCHEMBL21518187 0.82 KDM4E (0.38) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28634530 0.79 KDM4E (0.38) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7123295 0.77 KDM4E (0.36) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29481392 0.76 KDM4E (0.35) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29481393 0.76 KDM4E (0.35) KDM4ELMNACCR1CCR5CCR8
SCHEMBL27792042 0.76 KDM4E (0.35) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7589592 0.74 KDM4E (0.42) KDM4ELMNACCR1CCR5CCR8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1084151-B1 APPLICATION OF ATOM TRANSFER RADICAL POLYMERIZATION TO WATER-BORNE POLYMERIZATION SYSTEMS UNIV CARNEGIE MELLON (US) 2006-06-21 EP disclosed