SCHEMBL4672086

SCHEMBL4672086

COc1ccc(CCCn2nnn(-c3ccc([N+](=O)[O-])cc3)c2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 2/20 0.53
KCNH2 Q12809 1/20 0.53
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ADORA2A P29274 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 3/20 0.42
CNR1 P21554 1/20 0.42
ACHE P22303 1/20 0.42
CNR2 P34972 1/20 0.42
LMNA P02545 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41

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
SCHEMBL4673671 0.85 SIGMAR1 (0.52) KCNJ1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL4672126 0.84 NPBWR1 (0.42) MAPTSMN1; SMN2MAPK1LMNA
SCHEMBL4670082 0.77 KMT2A (0.48) MAPTSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL4670425 0.77 KMT2A (0.43) MAPTSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL4673533 0.77 ENPP2 (0.44) MAPTSMN1; SMN2KMT2AMEN1GAA
SCHEMBL4672275 0.72 ALDH1A1 (0.44) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL4660469 0.71 KCNH2 (0.65) KCNJ1KCNH2MAPTRAB9AKMT2A
SCHEMBL4675660 0.70 ROCK2 (0.56) MAPTSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL4673681 0.70 KMT2A (0.54) MAPTSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL16833111 0.69 RAB9A (0.86) MAPTSMN1; SMN2RAB9ANPC1MAPK1

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-1054881-B1 NOVEL SULFONAMIDE SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER CORP (US) 2008-07-30 EP disclosed