SCHEMBL9526308

SCHEMBL9526308

CC12CN(c3c(F)cc4c(=O)c(C(=O)O)c[nH]c4c3C3CC3)CC1N2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.37
LMNA P02545 2/20 0.35
KDM4E B2RXH2 8/20 0.35
ALDH1A1 P00352 7/20 0.35
HPGD P15428 6/20 0.35
HSD17B10 Q99714 5/20 0.35
POLB P06746 2/20 0.35
OPRM1 P35372 2/20 0.35
PMP22 Q01453 1/20 0.35
PRKD3 O94806 1/20 0.35
ALOX15 P16050 1/20 0.35
CLK2 P49760 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
OPRD1 P41143 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CSNK2A2 P19784 1/20 0.32

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
SCHEMBL10480544 0.83 LMNA (0.41) KCNH2LMNAKDM4EALDH1A1HPGD
SCHEMBL9522706 0.82 KDM4E (0.39) KCNH2LMNAKDM4EALDH1A1HPGD
SCHEMBL10480601 0.82 ALDH1A1 (0.44) KDM4EALDH1A1POLBOPRM1CHRM2
SCHEMBL8898775 0.81 KDM4E (0.50) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3239412 0.80 KDM4E (0.48) KCNH2LMNAKDM4EALDH1A1HPGD
SCHEMBL9664130 0.79 LMNA (0.39) KCNH2LMNAKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL7253434 0.79 KDM4E (0.46) KCNH2LMNAKDM4EALDH1A1HPGD
SCHEMBL17769247 0.78 LMNA (0.38) KCNH2LMNAKDM4EALDH1A1HPGD
SCHEMBL9209238 0.78 ALDH1A1 (0.41) KCNH2LMNAKDM4EALDH1A1HPGD
SCHEMBL10480288 0.78 ALDH1A1 (0.37) KCNH2LMNAKDM4EALDH1A1HPGD

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
EP-0571400-A1 NOVEL QUINOLONE COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF HANMI PHARMACEUTICAL CO.,LTD. (KR) 1993-12-01 EP disclosed