SCHEMBL11089329

SCHEMBL11089329

C=CCn1c(-c2ccc(OC)cc2)nc2c3ccccc3ccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.65
ALDH1A1 P00352 9/20 0.65
SMN1; SMN2 Q16637 8/20 0.65
MAPT P10636 7/20 0.65
HPGD P15428 5/20 0.65
HTT P42858 5/20 0.65
TP53 P04637 5/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
TSHR P16473 2/20 0.65
HSD17B10 Q99714 1/20 0.65
GAA P10253 3/20 0.56
NPSR1 Q6W5P4 3/20 0.48
MAPK9 P45984 1/20 0.47
MAPK14 Q16539 1/20 0.47
LMNA P02545 3/20 0.46
CNR2 P34972 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
MEN1 O00255 2/20 0.44

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
SCHEMBL11079618 0.85 GRIK2 (0.52) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL11024220 0.83 MAPK9 (0.50) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL11026052 0.82 ALDH1A1 (0.50) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL11079355 0.81 ALDH1A1 (0.55) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL11074861 0.81 TLR7 (0.52) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL10061946 0.79 KDM4E (1.00) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL11073129 0.79 PARP1 (0.55) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL11076902 0.78 MAPK9 (0.46) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL11085482 0.78 MAPK9 (0.47) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
Tomoxiprole SCHEMBL525023 0.76 MAPK9 (0.50) KDM4EALDH1A1SMN1; SMN2MAPTHPGD

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-4435417-A ANTIINFLAMMATORY AGENTS GRUPPO LEPETIT S.P.A. (IT) 1984-03-06 US disclosed
EP-0012866-A1 New 3H-naphtho(1,2-d)imidazoles, processes for preparing them, compounds for use as antiinflammatory and antimicrobial agents and compositions for that use containing them GRUPPO LEPETIT S.P.A. (IT) 1980-07-09 EP disclosed