SCHEMBL13822148

SCHEMBL13822148

Cc1cc(-n2ccc(N)n2)ccc1C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ NPC1 O15118 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ CARM1 Q86X55 1/20 0.31
▸ MAPT P10636 3/20 0.31
▸ HPGD P15428 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ MCL1 Q07820 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL20390723 0.88 ALDH1A1 (0.33) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL20390658 0.87 KCNH2 (0.34) ALDH1A1KMT2AMEN1KCNH2NPC1
SCHEMBL13659782 0.83 LMNA (0.34) ALDH1A1KMT2AMEN1LMNAKCNH2
SCHEMBL13659777 0.83 KCNH2 (0.32) ALDH1A1KMT2AMEN1KCNH2NPC1
SCHEMBL44771 0.82 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL13659785 0.81 POLB (0.39) ALDH1A1KMT2AMEN1GAALMNA
SCHEMBL20390374 0.81 KCNH2 (0.31) KCNH2
SCHEMBL13122745 0.80 NOTUM (0.37) KCNH2
SCHEMBL13822146 0.75 NOS3 (0.41) ALDH1A1KMT2AMEN1GAAKCNH2
SCHEMBL13659737 0.75 NOTUM (0.51) ALDH1A1KMT2AMEN1KDM4EGAA

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
WO-2009075923-A2 6, 11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2009-06-18 — — WO disclosed
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