SCHEMBL27699002

SCHEMBL27699002

O=CC1Nc2ccc(I)cc2O1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ ERN1 O75460 1/20 0.31

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
SCHEMBL21707063 0.73 P2RY6 (0.33) TGM2CES1
SCHEMBL21377402 0.73 RAF1 (0.37) TGM2CES1
SCHEMBL17385026 0.58 P2RY6 (0.36) —
SCHEMBL8006749 0.56 MMP12 (0.51) —
SCHEMBL18307135 0.55 BRD4 (0.50) TGM2CES1
SCHEMBL23652262 0.55 TGM2 (0.47) TGM2CES1
SCHEMBL24482971 0.53 ESR1 (0.41) TGM2CES1
SCHEMBL2227219 0.52 MAOB (0.46) —
SCHEMBL7791509 0.52 TGM2 (0.77) TGM2CES1
SCHEMBL23201842 0.51 ADRA2A (0.30) —

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101605758-A Methods of treating hepatitis C PTC THERAPEUTICS INC (US) 2009-12-16 — — CN disclosed
CN-101541748-A Methods for treating hepatitis C PTC THERAPEUTICS INC (US) 2009-09-23 — — CN disclosed
CN-101027051-A Methods for treating hepatitis C PTC THERAPEUTICS INC (US) 2007-08-29 — — CN disclosed
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