SCHEMBL7978648

SCHEMBL7978648

CCOC(=O)c1cn(C2CC2)c2c(C#N)c(F)c(F)cc2c1=O.N#Cc1c(F)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.59
ADRB2 P07550 1/20 0.56
TOP2A P11388 6/20 0.52
TOP2B Q02880 6/20 0.52
KCNH2 Q12809 5/20 0.50
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
GSK3B P49841 1/20 0.46

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
SCHEMBL3549628 0.96 STAT3 (0.63) STAT3ADRB2TOP2ATOP2BKCNH2
SCHEMBL30891255 0.89 TOP2A (0.60) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL6659404 0.89 TOP2A (0.60) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL30863948 0.87 STAT3 (0.56) STAT3ADRB2TOP2ATOP2BKCNH2
SCHEMBL5704368 0.87 STAT3 (0.56) STAT3ADRB2TOP2ATOP2BKCNH2
SCHEMBL9186289 0.87 ADRB2 (0.59) STAT3ADRB2TOP2ATOP2BKCNH2
SCHEMBL29492858 0.85 ADRB2 (0.68) STAT3ADRB2TOP2ATOP2BKCNH2
SCHEMBL2844967 0.85 ADRB2 (0.68) STAT3ADRB2TOP2ATOP2BKCNH2
SCHEMBL2670429 0.85 STAT3 (0.61) STAT3ADRB2ALDH1A1
SCHEMBL3551375 0.85 STAT3 (0.61) STAT3ADRB2ALDH1A1

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-6323213-B1 ANTIBIOTICS, BACTERICIDES FOR VETERINARY MEDICINE BAYER AKTIENGESELLSCHAFT (DE) 2001-11-27 US disclosed