SCHEMBL7718807

SCHEMBL7718807

Nc1c(O)cccc1-c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.49
KDM4E B2RXH2 6/20 0.46
LMNA P02545 3/20 0.46
CCR1 P32246 2/20 0.46
CCR5 P51681 2/20 0.46
CCR8 P51685 2/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
METAP1 P53582 1/20 0.46
BLM P54132 1/20 0.46
HIF1A Q16665 1/20 0.46
DOHH Q9BU89 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
TDO2 P48775 1/20 0.46
TP53 P04637 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
ALOX15 P16050 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
HTT P42858 2/20 0.45
TDP1 Q9NUW8 2/20 0.45

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
SCHEMBL27757834 0.82 KDM4E (0.52) KDM1AKDM4ELMNACCR1CCR5
SCHEMBL30161776 0.82 KDM4E (0.56) KDM1AKDM4ELMNACCR1CCR5
SCHEMBL56776 0.82 KDM4E (0.56) KDM1AKDM4ELMNACCR1CCR5
SCHEMBL29466690 0.82 KDM4E (0.56) KDM1AKDM4ELMNACCR1CCR5
SCHEMBL5463849 0.81 KDM4E (0.50) KDM1AKDM4ELMNACCR1CCR5
SCHEMBL30423262 0.81 KDM4E (0.50) KDM1AKDM4ELMNACCR1CCR5
SCHEMBL28408631 0.81 KDM4E (0.50) KDM1AKDM4ELMNACCR1CCR5
SCHEMBL4926391 0.81 KDM4E (0.50) KDM1AKDM4ELMNACCR1CCR5
SCHEMBL16820308 0.80 KDM4E (0.54) KDM1AKDM4ELMNACCR1CCR5
SCHEMBL20591288 0.80 KDM4E (0.54) KDM1AKDM4ELMNACCR1CCR5

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
US-6383986-B1 USE AS HERBICIDES, DESICCANTS OR DEFOLIANTS AND PLANT SAFENING AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-05-07 US disclosed
US-4297363-A 2-Amino-3(4 or 5)-(pyridinyl)phenols and their use as cardiotonics STERLING DRUG INC. (US) 1981-10-27 US disclosed