SCHEMBL29528849

SCHEMBL29528849

COC(=O)c1cc(I)c(C)cc1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 6/20 0.61
▸ SOS1 Q07889 1/20 0.44
▸ NOTUM Q6P988 3/20 0.42
▸ MAPT P10636 2/20 0.40
▸ LDHA P00338 1/20 0.36
▸ MBOAT4 Q96T53 1/20 0.35
▸ NR4A2 P43354 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ MCL1 Q07820 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34

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
SCHEMBL22400474 1.00 CFTR (0.61) CFTRSOS1NOTUMMAPTLDHA
SCHEMBL23754415 0.84 CFTR (0.61) CFTRSOS1NOTUMMAPTPDK2
SCHEMBL15797511 0.83 CFTR (0.78) CFTRSOS1NOTUMMAPT
SCHEMBL19491469 0.82 CFTR (0.48) CFTRSOS1NOTUMMAPTMBOAT4
SCHEMBL22400408 0.81 ASPH (0.45) CFTRNOTUMMAPT
SCHEMBL29529025 0.81 ASPH (0.45) CFTRNOTUMMAPT
SCHEMBL26334537 0.81 CFTR (0.58) CFTRSOS1NOTUMMAPTLDHA
SCHEMBL2425745 0.79 CFTR (0.68) CFTRSOS1NOTUMMAPT
SCHEMBL1920431 0.79 CFTR (0.46) CFTRSOS1MAPTNR4A2PDK2
SCHEMBL30280800 0.79 CFTR (0.46) CFTRSOS1MAPTNR4A2PDK2

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
EP-3946363-A2 GLUCOSE SENSITIVE INSULIN DERIVATIVES Novo Nordisk A/S (DK) 2022-02-09 — — EP disclosed
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