SCHEMBL11085482

SCHEMBL11085482

CCC(CC)n1c(-c2ccc(OC)cc2)nc2c3ccccc3ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.47
MAPK14 Q16539 1/20 0.47
KDM4E B2RXH2 8/20 0.42
ALDH1A1 P00352 8/20 0.42
LMNA P02545 3/20 0.42
TSHR P16473 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GAA P10253 1/20 0.42
CNR2 P34972 2/20 0.41
CNR1 P21554 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
GRIK2 Q13002 1/20 0.41
SMN1; SMN2 Q16637 6/20 0.40
TP53 P04637 4/20 0.40
MAPT P10636 4/20 0.40
HPGD P15428 3/20 0.40
HTT P42858 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HSD17B10 Q99714 2/20 0.40

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
SCHEMBL11078304 0.89 MAPK9 (0.47) MAPK9MAPK14KDM4EALDH1A1LMNA
Tomoxiprole SCHEMBL525023 0.86 MAPK9 (0.50) MAPK9MAPK14KDM4EALDH1A1LMNA
SCHEMBL11076902 0.84 MAPK9 (0.46) MAPK9MAPK14KDM4EALDH1A1LMNA
SCHEMBL11079618 0.81 GRIK2 (0.52) MAPK9MAPK14KDM4EALDH1A1LMNA
SCHEMBL11073129 0.80 PARP1 (0.55) MAPK9MAPK14KDM4EALDH1A1LMNA
SCHEMBL11024220 0.79 MAPK9 (0.50) MAPK9MAPK14KDM4EALDH1A1LMNA
Tomoxiprole SCHEMBL6937880 0.79 MAPK9 (0.43) MAPK9MAPK14KDM4EALDH1A1LMNA
SCHEMBL11089329 0.78 KDM4E (0.65) MAPK9MAPK14KDM4EALDH1A1LMNA
SCHEMBL11079355 0.78 ALDH1A1 (0.55) MAPK9MAPK14KDM4EALDH1A1LMNA
SCHEMBL11078399 0.77 MAPK9 (0.48) MAPK9MAPK14KDM4EALDH1A1LMNA

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