SCHEMBL9734102

SCHEMBL9734102

O=C(O)c1cn(C2CC2)c2c(F)c(N3CCC(CO)C3)c(F)cc2c1=O

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.69
ALDH1A1 P00352 5/20 0.62
POLB P06746 2/20 0.62
OPRM1 P35372 2/20 0.62
CHRM2 P08172 1/20 0.62
CHRM1 P11229 1/20 0.62
OPRD1 P41143 1/20 0.62
KDM4E B2RXH2 4/20 0.57
HPGD P15428 4/20 0.57
HSD17B10 Q99714 3/20 0.57
PRKD3 O94806 1/20 0.57
ALOX15 P16050 1/20 0.57
CLK2 P49760 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
TOP2A P11388 5/20 0.55
TOP2B Q02880 5/20 0.55
LMNA P02545 2/20 0.52
PMP22 Q01453 1/20 0.52

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
SCHEMBL9023115 0.91 KCNH2 (0.68) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL8112090 0.91 KCNH2 (0.82) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL10766540 0.90 KCNH2 (0.72) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9733802 0.90 ALDH1A1 (0.76) KCNH2ALDH1A1POLBOPRM1CHRM2
Hydrochloric Acid SCHEMBL8564922 0.90 KCNH2 (0.80) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9734892 0.90 ALDH1A1 (0.76) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL6489034 0.90 ALDH1A1 (0.76) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL6494001 0.90 KCNH2 (0.85) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9022895 0.90 KCNH2 (0.66) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL8922104 0.90 KCNH2 (0.66) KCNH2ALDH1A1POLBOPRM1CHRM2

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-5153204-A Bactericides, animal growth promoters BAYER AKTIENGESELLSCHAFT (DE) 1992-10-06 US claimed