SCHEMBL8322689

SCHEMBL8322689

CN1Cc2ccc(-c3c(F)cc4c(=O)c(C(=O)O)cn(C5CC5F)c4c3Cl)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 11/20 0.46
TOP2B Q02880 11/20 0.46
ALDH1A1 P00352 3/20 0.42
POLB P06746 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
KDM4E B2RXH2 7/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALB P02768 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40

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
SCHEMBL7013980 1.00 TOP2A (0.46) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL7009753 0.91 TOP2A (0.56) TOP2ATOP2BALDH1A1POLBKDM4E
SCHEMBL8319164 0.91 TOP2A (0.56) TOP2ATOP2BALDH1A1POLBKDM4E
SCHEMBL8319531 0.90 TOP2A (0.46) TOP2ATOP2BALDH1A1POLBKDM4E
SCHEMBL8319527 0.90 TOP2A (0.46) TOP2ATOP2BALDH1A1POLBKDM4E
SCHEMBL7008936 0.89 TOP2A (0.59) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL7009308 0.88 CYP3A4 (0.47) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL8325067 0.88 CYP3A4 (0.47) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL7010327 0.87 TOP2A (0.46) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL8322753 0.87 TOP2A (0.46) TOP2ATOP2BALDH1A1POLBCHRM2

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-5935952-A ANTIBACTERIAL AGENT TOYAMA CHEMICAL CO., LTD. (JP) 1999-08-10 US disclosed