SCHEMBL9603447

SCHEMBL9603447

NC(=NCCC(c1ccccc1)c1ccccc1)c1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.59
ALDH1A1 P00352 2/20 0.53
HTT P42858 2/20 0.53
EPHX2 P34913 4/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
TBXAS1 P24557 1/20 0.47
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
SARM1 Q6SZW1 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT6 Q8N6T7 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
SIRT3 Q9NTG7 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42

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
SCHEMBL9603446 1.00 LMNA (0.59) LMNAALDH1A1HTTEPHX2CYP2C9
SCHEMBL10435262 0.85 LMNA (0.61) LMNAALDH1A1HTTEPHX2CYP2C9
SCHEMBL10435263 0.85 LMNA (0.61) LMNAALDH1A1HTTEPHX2CYP2C9
SCHEMBL9153569 0.79 GRIN1 (0.71) LMNAALDH1A1HTTEPHX2KDM4E
SCHEMBL9217826 0.77 EPHX2 (0.50) LMNAEPHX2CYP2C9CYP2C19TBXAS1
SCHEMBL9215256 0.77 EPHX2 (0.50) LMNAEPHX2CYP2C9CYP2C19TBXAS1
SCHEMBL10435468 0.76 ALDH1A1 (0.58) LMNAALDH1A1HTTEPHX2CYP2C9
SCHEMBL10435469 0.76 ALDH1A1 (0.58) LMNAALDH1A1HTTEPHX2CYP2C9
SCHEMBL5056593 0.75 CYP3A4 (0.54) LMNAALDH1A1HTTCYP2C9CYP2C19
SCHEMBL22281477 0.75 CYP3A4 (0.54) LMNAALDH1A1HTTCYP2C9CYP2C19

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-5272164-A Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1993-12-21 US disclosed