SCHEMBL27669778

SCHEMBL27669778

[CH2]C1CCC(c2cccc(OCc3ccccc3)c2)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.50
KCNH2 Q12809 1/20 0.48
MAOB P27338 4/20 0.47
TNKS2 Q9H2K2 1/20 0.45
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
BCHE P06276 1/20 0.44
MAOA P21397 1/20 0.43
NR4A2 P43354 1/20 0.43
GRIN1 Q05586 4/20 0.43
GRIN2B Q13224 1/20 0.43
SPHK1 Q9NYA1 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
ALOX5 P09917 1/20 0.42
LCK P06239 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
SCHEMBL27838499 0.92 KDM1A (0.48) KDM1AKCNH2MAOBTNKS2CYP4F2
SCHEMBL6583019 0.87 MAOB (0.56) KDM1AKCNH2MAOBTNKS2CYP4F2
SCHEMBL23364801 0.82 KCNH2 (0.49) KDM1AKCNH2MAOBTNKS2CYP4F2
SCHEMBL23380025 0.82 KDM1A (0.48) KDM1AKCNH2MAOBTNKS2CYP4F2
SCHEMBL6583023 0.81 SPHK1 (0.58) KDM1AKCNH2MAOBTNKS2CYP4F2
SCHEMBL6588487 0.81 SPHK1 (0.55) KDM1AKCNH2MAOBTNKS2CYP4F2
SCHEMBL29666652 0.81 KCNH2 (0.53) KDM1AKCNH2MAOBTNKS2CYP4F2
SCHEMBL23364637 0.81 AKR1C3 (0.58) KDM1AKCNH2MAOBTNKS2CYP4F2
SCHEMBL12354455 0.80 SPHK1 (0.60) KDM1AKCNH2MAOBTNKS2CYP4F2
SCHEMBL32665130 0.79 KDM1A (0.53) KDM1AKCNH2MAOBTNKS2CYP4F2

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
CN-1898240-B Imidazopyrazine tyrosine kinase inhibitors OSI PHARM INC 2011-08-03 CN claimed
CN-1898240-A Imidazopyrazine tyrosine kinase inhibitors OSI PHARM INC (US) 2007-01-17 CN claimed