SCHEMBL8600030

SCHEMBL8600030

CCOc1ccc(Cc2ccn(CC)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
NQO1 P15559 1/20 0.44
ALDH1A1 P00352 5/20 0.43
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
DHFR P00374 1/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
CACNA1G O43497 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
BCHE P06276 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL2488793 0.73 NQO1 (0.74) SMN1; SMN2LMNANQO1ALDH1A1HPGD
SCHEMBL14175640 0.69 NQO1 (0.58) SMN1; SMN2LMNANQO1ALDH1A1HPGD
SCHEMBL16823798 0.69 HTT (0.43) SMN1; SMN2NQO1ALDH1A1MAPTTSHR
SCHEMBL23542447 0.68 KCNH2 (0.36) SMN1; SMN2ALDH1A1
SCHEMBL15201648 0.68 NQO1 (0.64) SMN1; SMN2LMNANQO1ALDH1A1HPGD
Ammonia Solution, Strong SCHEMBL27718462 0.68 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1MAPTGAATSHR
SCHEMBL5188545 0.67 NQO1 (0.70) SMN1; SMN2LMNANQO1ALDH1A1KDM4E
SCHEMBL22912519 0.67 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1HPGDKDM4EMAPT
SCHEMBL16373730 0.67 RAB9A (0.36) SMN1; SMN2ALDH1A1KDM4EMAPTTSHR
SCHEMBL10154714 0.67 KCNH2 (0.38) SMN1; SMN2ALDH1A1MAPTTSHRTDP1

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
EP-0813410-A4 SUBSTITUTED N-ARYLMETHYL AND HETEROCYCLYLMETHYL-1H-PYRAZOLO 3,4-b]QUINOLIN-4-AMINES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI WINTHROP INC (US) 1998-08-19 EP disclosed
EP-0813410-A1 SUBSTITUTED N-ARYLMETHYL AND HETEROCYCLYLMETHYL-1H-PYRAZOLO 3,4-b]QUINOLIN-4-AMINES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI WINTHROP, INC. (US) 1997-12-29 EP disclosed