SCHEMBL8090836

SCHEMBL8090836

Cc1ccc2c(C)cc(C)c(O)c2n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.68
RAB9A P51151 3/20 0.68
GAA P10253 3/20 0.68
LMNA P02545 2/20 0.68
HTT P42858 2/20 0.68
NPC1 O15118 1/20 0.68
MITF O75030 1/20 0.68
TP53 P04637 1/20 0.68
TSHR P16473 1/20 0.68
AGTR1 P30556 1/20 0.68
MAPT P10636 5/20 0.62
ALDH1A1 P00352 3/20 0.62
TDP1 Q9NUW8 2/20 0.62
BRD4 O60885 1/20 0.62
MAPK1 P28482 2/20 0.58
KMT2A Q03164 2/20 0.58
OPRK1 P41145 1/20 0.58
CCR1 P32246 2/20 0.43
CCR5 P51681 1/20 0.43
METAP2 P50579 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
SCHEMBL29579875 0.81 KDM4E (1.00) KDM4ERAB9AGAALMNAHTT
SCHEMBL18646497 0.81 KDM4E (0.64) KDM4ERAB9AGAALMNAHTT
SCHEMBL878950 0.79 OPRK1 (0.52) KDM4ERAB9AGAALMNAHTT
SCHEMBL31023227 0.79 KDM4E (0.49) KDM4ERAB9AGAALMNAHTT
SCHEMBL8115842 0.79 KDM4E (0.49) KDM4ERAB9AGAALMNAHTT
SCHEMBL1781881 0.78 GAA (0.69) KDM4ERAB9AGAALMNAHTT
SCHEMBL16407660 0.78 MAPT (0.47) KDM4ERAB9AGAALMNAHTT
SCHEMBL8098163 0.77 RAB9A (0.61) KDM4ERAB9AGAALMNAHTT
SCHEMBL13321137 0.77 GAA (0.68) KDM4ERAB9AGAALMNAHTT
SCHEMBL17058834 0.77 GAA (0.68) KDM4ERAB9AGAALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9822078-B2 Quinoline compounds OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-11-21 US disclosed
US-9822078-B2 Quinoline compounds OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-11-21 US disclosed
WO-2017133517-A1 PHOSPHAMIDE DERIVATIVE, METHOD FOR MANUFACTURING THE SAME, AND USES THEREOF 四川海思科制药有限公司 2017-08-10 WO disclosed
WO-2017044889-A1 LRH-1 MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-03-16 WO disclosed
EP-0795547-B1 (Aminoalkyl- and acylaminoalkyl-oxy)benzyloxyquinolines, process for their preparation and use as Bradykinin receptor antagonists HOECHST AG (DE) 2000-05-10 EP disclosed
EP-0795547-A1 (Aminoalkyl- and acylaminoalkyl-oxy)benzyloxyquinolines, process for their preparation and use as Bradykinin receptor antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-17 EP disclosed