SCHEMBL10652401

SCHEMBL10652401

O=C1Cc2cc(C(F)(F)F)ccc2SN1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 2/20 0.53
▸ KIF11 P52732 8/20 0.42
▸ PTPN5 P54829 1/20 0.40
▸ PARP1 P09874 2/20 0.39
▸ PARP10 Q53GL7 1/20 0.39
▸ CYBB P04839 1/20 0.36
▸ NOX3 Q9HBY0 1/20 0.36
▸ NOX4 Q9NPH5 1/20 0.36
▸ NOX1 Q9Y5S8 1/20 0.36
▸ PNMT P11086 3/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ AADAT Q8N5Z0 1/20 0.35

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
SCHEMBL578303 0.71 TDP2 (0.66) TDP2KIF11
SCHEMBL31492431 0.71 TDP2 (0.66) TDP2KIF11
SCHEMBL74499 0.70 AHR (0.45) TDP2MEN1KMT2A
SCHEMBL5540047 0.69 PTPN5 (0.44) TDP2KIF11PTPN5PARP1PARP10
SCHEMBL18010845 0.69 TDP2 (1.00) TDP2KIF11PARP1PARP10
SCHEMBL3224720 0.68 TDP2 (0.66) TDP2KIF11
SCHEMBL11707529 0.67 BLM (0.63) TDP2CYBBNOX3NOX4NOX1
SCHEMBL30207808 0.67 CYBB (0.53) PTPN5CYBBNOX3NOX4NOX1
SCHEMBL2749063 0.67 CYBB (0.53) PTPN5CYBBNOX3NOX4NOX1
SCHEMBL6586662 0.66 TDP2 (0.54) TDP2KIF11PARP1PARP10PNMT

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-4755509-A Heterocyclic aldose reductase inhibitors and methods of using them Carbipem (FR) 1988-07-05 — — US disclosed
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