SCHEMBL31171938

SCHEMBL31171938

CC1(C)c2cc(I)ccc2Nc2ccc(I)cc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ SNCA P37840 1/20 0.39
▸ PGR P06401 8/20 0.36
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ GNG2 P59768 1/20 0.33
▸ GNB1 P62873 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ PDK4 Q16654 1/20 0.33
▸ TDP2 O95551 2/20 0.32
▸ NOS1 P29475 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
SCHEMBL31238681 0.84 PDK2 (0.55) PGRPDE3BPDE3APDK2PDK4
SCHEMBL10116540 0.84 PDK2 (0.55) PGRPDE3BPDE3APDK2PDK4
SCHEMBL1419163 0.76 TDP2 (0.38) TGM2CES1TDP2
SCHEMBL31065872 0.76 TDP2 (0.38) TGM2CES1TDP2
SCHEMBL31147116 0.74 CYP3A4 (0.46) PGR
SCHEMBL359447 0.74 CYP3A4 (0.46) PGR
SCHEMBL24569602 0.73 CYP1A2 (0.44) PGR
SCHEMBL2452451 0.73 LMNA (0.42) TGM2CES1SNCAPGR
SCHEMBL10116531 0.72 TGM2 (0.41) TGM2CES1PGRPDE3BPDE3A
SCHEMBL23332059 0.71 TDP2 (0.38) TGM2CES1TDP2

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-118755057-A Hole-transporting polymer material, preparation method and application 昆山协鑫光电材料有限公司 2024-10-11 — — CN disclosed
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