SCHEMBL18568645

SCHEMBL18568645

CC1C=CC1c1ccccc1-c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.42
LMNA P02545 3/20 0.42
CCR1 P32246 2/20 0.42
CCR5 P51681 2/20 0.42
CCR8 P51685 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
METAP1 P53582 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
DOHH Q9BU89 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
TP53 P04637 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
NPC1 O15118 7/20 0.38
RAB9A P51151 7/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
PKM P14618 3/20 0.38
GAA P10253 2/20 0.38

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
SCHEMBL4727995 0.72 KDM4E (0.48) KDM4ELMNACCR1CCR5CCR8
SCHEMBL18729720 0.71 KDM4E (0.43) KDM4ELMNACCR1CCR5CCR8
SCHEMBL858806 0.71 KDM4E (0.72) KDM4ELMNACCR1CCR5CCR8
SCHEMBL12853986 0.69 KDM4E (0.68) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29723140 0.69 KDM4E (0.68) KDM4ELMNACCR1CCR5CCR8
SCHEMBL12853975 0.69 KDM4E (0.68) KDM4ELMNACCR1CCR5CCR8
SCHEMBL22881677 0.69 KDM4E (0.68) KDM4ELMNACCR1CCR5CCR8
SCHEMBL21565082 0.68 TP53 (0.50) KDM4ELMNACCR1CCR5CCR8
Hydrochloric Acid SCHEMBL29983197 0.67 KDM4E (0.65) KDM4ELMNACCR1CCR5CCR8
SCHEMBL27924279 0.67 KDM4E (0.65) 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-1874894-B1 ORGANIC ELECTROLUMINESCENT DEVICE UDC IRELAND LTD (IE) 2017-03-01 EP disclosed