SCHEMBL7044951

SCHEMBL7044951

O=c1c2ccccc2oc2cc(OCC#CCN3CCOCC3)ccc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
XDH P47989 4/20 0.56
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
ATM Q13315 1/20 0.53
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAOA P21397 1/20 0.48
MAOB P27338 4/20 0.46
HRH3 Q9Y5N1 4/20 0.46
ACHE P22303 3/20 0.46
BCHE P06276 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CSF1R P07333 1/20 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
SCHEMBL2465863 0.94 MAOB (0.53) XDHNPC1RAB9AATMKDM4E
SCHEMBL7044938 0.83 ALDH1A1 (0.47) KDM4EALDH1A1TDP1ACHEBCHE
SCHEMBL7042817 0.82 SIGMAR1 (0.59) ACHEBCHE
SCHEMBL2464196 0.82 MAOA (0.47) NPC1RAB9AATMKDM4EALDH1A1
SCHEMBL7045130 0.81 ALDH1A1 (0.53) NPC1RAB9AKDM4EALDH1A1TDP1
SCHEMBL7044392 0.81 KDM4E (0.63) KDM4EALDH1A1TDP1MAOAMAOB
SCHEMBL7040569 0.79 KDM4E (0.54) KDM4EALDH1A1TDP1ACHEBCHE
SCHEMBL2464301 0.75 MAPT (0.61) XDHNPC1RAB9AKDM4EALDH1A1
SCHEMBL11501912 0.72 MAOB (0.67) NPC1RAB9AKDM4EALDH1A1TDP1
SCHEMBL6519242 0.71 MAOA (0.70) XDHNPC1RAB9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212312-B1 NOVEL DERIVATIVES OF FLAVONES, XANTHONES AND COUMARINS INDENA SPA (IT) 2003-04-02 EP claimed
US-6608089-B2 Having antiproliferative activity and are useful as modulators of multiple drug resistance in cancer chemotherapy of neoplasms, for use in manufacture of medicament for menopausal disorders and osteoporosis INDENA S.P.A. (IT) 2003-08-19 US disclosed
EP-1212312-B1 NOVEL DERIVATIVES OF FLAVONES, XANTHONES AND COUMARINS INDENA SPA (IT) 2003-04-02 EP disclosed