SCHEMBL7007443

SCHEMBL7007443

O=c1[nH]ccn2c1cc1cc(OCc3ccccc3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
NPC1 O15118 2/20 0.51
KMT2A Q03164 2/20 0.51
RAB9A P51151 1/20 0.51
SRD5A2 P31213 2/20 0.50
NSD2 O96028 1/20 0.50
ABL1 P00519 1/20 0.50
PPARG P37231 1/20 0.50
RIN1 Q13671 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
ALOX5 P09917 1/20 0.49
IP6K1 Q92551 1/20 0.46
MAOB P27338 5/20 0.45
MAOA P21397 4/20 0.45
CHEK1 O14757 1/20 0.45
MAPK14 Q16539 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL7003213 0.90 NSD2 (0.50) MEN1NPC1KMT2ARAB9ASRD5A2
SCHEMBL7009955 0.79 NPC1 (0.56) MEN1NPC1KMT2ARAB9ASRD5A2
SCHEMBL15903599 0.77 IP6K1 (0.54) MEN1NPC1KMT2ARAB9ASRD5A2
SCHEMBL4751214 0.73 PARP1 (0.41) MEN1KMT2ACHEK1KDM4EALDH1A1
SCHEMBL13711924 0.72 PARP1 (0.61) MAOBMAOACHEK1MAPK14
SCHEMBL7004603 0.72 ALDH1A1 (0.40) MEN1NPC1KMT2ARAB9ASRD5A2
SCHEMBL7006729 0.69 ALOX5 (0.48) MEN1NPC1KMT2ARAB9ASRD5A2
SCHEMBL1400791 0.69 NPC1 (0.63) MEN1NPC1KMT2ARAB9ASRD5A2
SCHEMBL3979896 0.69 ROCK1 (0.58) MEN1NPC1KMT2ARAB9ASRD5A2
SCHEMBL5483649 0.69 SRD5A2 (0.57) MEN1NPC1KMT2ARAB9ASRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200439-B1 1,2-DIHYDRO-1-OXO-PARAZINO(1,2-A) INDOLE DERIVATIVES NOVUSPHARMA SPA (IT) 2003-06-25 EP disclosed