SCHEMBL9561861

SCHEMBL9561861

CCOC(=O)c1cc(=O)c2cc(F)c(N(C)C)c(F)c2n1C1CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.43
TOP2A P11388 3/20 0.43
TOP2B Q02880 3/20 0.43
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
STAT3 P40763 1/20 0.33
RAB9A P51151 2/20 0.33
USP2 O75604 1/20 0.33
XBP1 P17861 1/20 0.33
NPC1 O15118 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
GRK6 P43250 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
SCHEMBL23037281 0.89 TOP2A (0.47) ADRB2TOP2ATOP2BKMT2ASTAT3
SCHEMBL7122780 0.84 ALDH1A1 (0.43) ADRB2TOP2ATOP2BKMT2ASTAT3
SCHEMBL7844447 0.81 STAT3 (0.48) ADRB2TOP2ATOP2BKMT2AMEN1
SCHEMBL9564487 0.78 MEN1 (0.43) ADRB2TOP2ATOP2BKMT2AMEN1
SCHEMBL1345175 0.77 STAT3 (0.44) ADRB2TOP2ATOP2BKMT2ASTAT3
SCHEMBL9849851 0.76 TOP2A (0.50) ADRB2TOP2ATOP2B
SCHEMBL9564450 0.75 MEN1 (0.40) TOP2ATOP2BKMT2AMEN1USP2
SCHEMBL8096676 0.72 TOP2A (0.47) TOP2ATOP2BKDM4EALDH1A1HPGD
SCHEMBL9564502 0.70 MEN1 (0.39) KMT2AMEN1USP2ALDH1A1GRK6
SCHEMBL30995245 0.70 LMNA (0.37) RAB9AUSP2NPC1KDM4EALDH1A1

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
JP-5155847-A None JP disclosed
US-5182401-A Bactericide intermediate BAYER AKTIENGESELLSCHAFT (DE) 1993-01-26 US disclosed