SCHEMBL28200526

SCHEMBL28200526

O=C1OC(=O)c2cc(I)c(Br)c3cccc1c23

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYMS P04818 11/20 0.49
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HKDC1 Q2TB90 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1B1 Q16678 1/20 0.33

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
SCHEMBL7703859 0.80 TYMS (0.49) TYMSALOX15TDP1MEN1POLB
SCHEMBL7709575 0.80 TYMS (0.49) TYMSALOX15TDP1HKDC1MEN1
SCHEMBL31094972 0.77 TYMS (0.61) TYMSALOX15TDP1MEN1POLB
SCHEMBL4960377 0.77 TYMS (0.61) TYMSALOX15TDP1MEN1POLB
SCHEMBL29665023 0.75 TYMS (0.44) TYMSTDP1MEN1KMT2A
SCHEMBL4084412 0.75 TYMS (0.44) TYMSTDP1MEN1KMT2A
SCHEMBL7709795 0.73 HKDC1 (0.65) TYMSALOX15TDP1HKDC1MEN1
SCHEMBL320954 0.73 TYMS (0.61) TYMSMEN1POLBKMT2ACYP1B1
SCHEMBL29362967 0.73 TYMS (0.61) TYMSMEN1POLBKMT2ACYP1B1
SCHEMBL10829100 0.72 TSHR (0.48) TYMSALOX15TDP1MEN1POLB

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
CN-107573323-A A kind of thermic delayed fluorescence material and its preparation and application 武汉大学 2018-01-12 CN disclosed