SCHEMBL6744628

SCHEMBL6744628

OC1C=CC=C(c2ccccn2)C1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.43
LMNA P02545 3/20 0.43
CCR1 P32246 3/20 0.43
CCR5 P51681 3/20 0.43
CCR8 P51685 3/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
METAP1 P53582 1/20 0.43
BLM P54132 1/20 0.43
HIF1A Q16665 1/20 0.43
DOHH Q9BU89 1/20 0.43
P4HTM Q9NXG6 1/20 0.43
TP53 P04637 4/20 0.42
ALOX15 P16050 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
HTT P42858 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALPL P05186 1/20 0.42
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL19494138 0.79 KDM4E (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL6744116 0.78 HSP90AA1 (0.31) HSP90AA1
SCHEMBL6740748 0.72 CYP2A6 (0.39) KDM4EL3MBTL1NPC1RAB9AMAPT
SCHEMBL6741707 0.72 AR (0.42) KDM4ELMNACYP1A2BLMTP53
SCHEMBL6738753 0.72 L3MBTL1 (0.38) LMNAALOX15SMN1; SMN2L3MBTL1TDP1
SCHEMBL10756529 0.71 KDM4E (0.42) KDM4ELMNACCR1CCR5CCR8
SCHEMBL5661790 0.67 KDM4E (0.56) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL27651116 0.65 KDM4E (0.88) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL29907716 0.65 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL3711450 0.65 KDM4E (1.00) 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
US-20040086983-A1 Method for producing a heterocyclic compound and an aromatic carboxylic acid having one or more hydroxyl groups, and modified aromatic ring dioxygenase MARINE BIOTHECHNOLOGY INSTITUTE., LTD. (JP) 2004-05-06 US disclosed