SCHEMBL8440342

SCHEMBL8440342

N#Cc1ccccc1C(c1nc[nH]n1)c1ccccc1C#N

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPK1 P28482 1/20 0.32
IMPDH2 P12268 1/20 0.32
IMPDH1 P20839 1/20 0.32
SGMS2 Q8NHU3 1/20 0.32
MAP2K1 Q02750 1/20 0.31
NOTUM Q6P988 1/20 0.31
GAA P10253 2/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL1552746 0.87 CYP19A1 (0.38) TSHRGAA
SCHEMBL9165314 0.86 KDM4E (0.39) ALDH1A1SMN1; SMN2HPGD
SCHEMBL8110564 0.86 S1PR1 (0.34) L3MBTL1ALDH1A1TSHRSMN1; SMN2MAPK1
SCHEMBL4078370 0.74 TSHR (0.48) L3MBTL1ALDH1A1TSHRIMPDH2IMPDH1
SCHEMBL9165041 0.72 TOP2A (0.37) GAA
SCHEMBL4128351 0.71 ALDH1A1 (0.34) L3MBTL1ALDH1A1TSHRIMPDH2IMPDH1
SCHEMBL1507799 0.70 CYP19A1 (0.46) ALDH1A1TSHR
SCHEMBL27859305 0.68 ESR2 (0.41) L3MBTL1ALDH1A1TSHRMAPK1IMPDH2
SCHEMBL4098531 0.67 ALDH1A1 (0.45) L3MBTL1ALDH1A1TSHRSGMS2GAA
SCHEMBL8767389 0.65 CYP19A1 (0.41) ALDH1A1TSHRSMN1; SMN2HPGD

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
US-5945109-A CONSISTS OF AROMATASE INHIBITORS AND ANTIESTROGENS SELECTED FROM TAMOXIFEN AND HYDROXYTAMOXIFEN/4-/ TO REDUCE SUBCUTANEOUS FATTY TISSUES SUCH AS CELLULITE S.W. PATENTVERWERTUNGS GES.M.B.H. (AT) 1999-08-31 US disclosed