SCHEMBL9734112

SCHEMBL9734112

CC1C(O)CCN1c1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1F

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.59
TOP2B Q02880 6/20 0.59
KCNH2 Q12809 5/20 0.54
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 4/20 0.54
HPGD P15428 4/20 0.54
HSD17B10 Q99714 3/20 0.54
POLB P06746 2/20 0.54
OPRM1 P35372 2/20 0.54
PRKD3 O94806 1/20 0.54
ALOX15 P16050 1/20 0.54
CLK2 P49760 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CHRM2 P08172 1/20 0.54
CHRM1 P11229 1/20 0.54
OPRD1 P41143 1/20 0.54
LMNA P02545 2/20 0.52
ALB P02768 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL9147834 0.91 TOP2A (0.58) TOP2ATOP2BKCNH2ALDH1A1KDM4E
SCHEMBL9147827 0.91 TOP2A (0.58) TOP2ATOP2BKCNH2ALDH1A1KDM4E
SCHEMBL9147844 0.91 TOP2A (0.58) TOP2ATOP2BKCNH2ALDH1A1KDM4E
SCHEMBL9146215 0.84 ALDH1A1 (0.59) TOP2ATOP2BKCNH2ALDH1A1KDM4E
SCHEMBL9149682 0.84 ALDH1A1 (0.59) TOP2ATOP2BKCNH2ALDH1A1KDM4E
SCHEMBL9150515 0.84 ALDH1A1 (0.59) TOP2ATOP2BKCNH2ALDH1A1KDM4E
SCHEMBL9146205 0.84 ALDH1A1 (0.59) TOP2ATOP2BKCNH2ALDH1A1KDM4E
SCHEMBL9146224 0.84 ALDH1A1 (0.59) TOP2ATOP2BKCNH2ALDH1A1KDM4E
SCHEMBL9671100 0.83 TOP2A (0.59) TOP2ATOP2BKCNH2ALDH1A1KDM4E
SCHEMBL9177373 0.83 TOP2A (0.52) TOP2ATOP2BKCNH2ALDH1A1KDM4E

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