SCHEMBL6589956

SCHEMBL6589956

Cc1nc(Oc2ccc(F)cc2)cc(Oc2ccc(F)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 5/20 0.44
CYP2C19 P33261 5/20 0.44
CYP3A4 P08684 2/20 0.44
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 3/20 0.40
TRPA1 O75762 1/20 0.40
CYP2D6 P10635 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSPB1 P04792 1/20 0.39
LMNA P02545 1/20 0.39
MAPK14 Q16539 2/20 0.39

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
SCHEMBL17623907 0.85 ATM (0.63) ATMPOLBL3MBTL1MEN1KMT2A
SCHEMBL27448990 0.79 L3MBTL1 (0.46) ATMPOLBL3MBTL1MEN1KMT2A
SCHEMBL7902841 0.78 ALDH1A1 (0.55) ATMPOLBL3MBTL1MEN1KMT2A
SCHEMBL3410924 0.77 ALDH1A1 (0.61) ATMPOLBL3MBTL1MEN1KMT2A
SCHEMBL3139261 0.76 SCN4A (0.47) L3MBTL1ALDH1A1NPC1RAB9ASCN4A
SCHEMBL10548451 0.74 CYP1A2 (0.50) ATMPOLBL3MBTL1MEN1KMT2A
SCHEMBL17624246 0.74 SLC6A2 (0.48) L3MBTL1KDM4ELMNAMAPT
SCHEMBL9771223 0.73 MEN1 (0.47) ATMPOLBL3MBTL1MEN1KMT2A
SCHEMBL17624254 0.73 L3MBTL1 (0.51) ATMPOLBL3MBTL1MEN1KMT2A
SCHEMBL19325658 0.73 L3MBTL1 (0.51) ATML3MBTL1MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0781766-B1 HETEROCYCLIC DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO LTD (JP) 2004-03-31 EP disclosed
US-6191149-B1 DRUG FOR CEREBROVASCULAR DISEASE NIPPON SHINYAKU, CO., LTD. (JP) 2001-02-20 US disclosed
US-5945426-A PREVENT NEURONAL DEATH NIPPON SHINYAKU CO., LTD. (JP) 1999-08-31 US disclosed
EP-0781766-A1 HETEROCYCLIC DERIVATIVE AND MEDICINE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1997-07-02 EP disclosed