SCHEMBL28797017

SCHEMBL28797017

CC(C=O)Nc1ccc(I)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ MAP2K1 Q02750 3/20 0.38
▸ CA1 P00915 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ MAPK1 P28482 1/20 0.32
▸ SRC P12931 1/20 0.30
▸ IDO1 P14902 1/20 0.30
▸ ERN1 O75460 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL14407222 0.80 ADRA2A (0.43) ADRA2AADRA2BMAP2K1CA1CA14
SCHEMBL18619504 0.70 ADRA2A (0.46) ADRA2AADRA2BMAP2K1SRCIDO1
SCHEMBL27855363 0.70 MAP2K1 (0.46) ADRA2AADRA2BMAP2K1CA1SRC
SCHEMBL20375319 0.68 ADRA2A (0.44) ADRA2AADRA2BMAP2K1CA1SRC
SCHEMBL2648754 0.67 CA1 (0.57) MAP2K1CA1HTT
SCHEMBL4641881 0.67 HPGD (0.41) ADRA2AADRA2BMAP2K1CA1MAPK1
Hydrochloric Acid SCHEMBL15110989 0.65 CA1 (0.48) ADRA2AADRA2BMAP2K1CA1SRC
SCHEMBL18579148 0.65 MAP2K1 (0.49) MAP2K1
SCHEMBL9835469 0.65 MAP2K1 (0.46) ADRA2AADRA2BMAP2K1CA1
SCHEMBL11420542 0.64 ALDH1A1 (0.48) MAP2K1CA1MAPK1HTT

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-102604157-A Flame retardant and preparation method thereof CHANGCHUN APPLIED CHEMISTRY 2012-07-25 — — CN disclosed
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