SCHEMBL2875824

SCHEMBL2875824

Brc1ccc(Cc2cnc[nH]2)c(Br)c1Br

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 7/20 0.53
▸ ADRA1D P25100 7/20 0.53
▸ ADRA2A P08913 2/20 0.47
▸ ADRA2B P18089 2/20 0.47
▸ ADRA2C P18825 2/20 0.47
▸ ADRA1A P35348 2/20 0.47
▸ ADRA1B P35368 2/20 0.47
▸ HRH4 Q9H3N8 3/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.47
▸ CYP3A4 P08684 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL2626817 0.79 ADRA1D (0.63) HRH3ADRA1DADRA2AADRA2BADRA2C
SCHEMBL4810980 0.74 PTPN1 (0.35) TAAR1
SCHEMBL2874845 0.69 ADRA1D (0.47) HRH3ADRA1DADRA2AADRA2BADRA2C
SCHEMBL26960858 0.69 ADRA1D (0.51) HRH3ADRA1DADRA2AADRA2BADRA2C
SCHEMBL2626818 0.67 ADRA1D (0.61) HRH3ADRA1DADRA2AADRA2BADRA2C
SCHEMBL4403574 0.67 ADRA1D (0.61) HRH3ADRA1DADRA2AADRA2BADRA2C
SCHEMBL2626803 0.66 ADRA1D (0.48) HRH3ADRA1DADRA2AADRA2BADRA2C
SCHEMBL2877854 0.66 IDO1 (0.50) ADRA2AADRA2BADRA2CADRA1ACYP3A4
SCHEMBL4813297 0.65 PTPN1 (0.42) —
SCHEMBL6987055 0.65 ADRA1A (0.54) HRH3ADRA1DADRA2AADRA2BADRA2C

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
WO-2010016620-A1 SURFACE TREATING AGENT FOR COPPER OR COPPER ALLOY AND USE THEREOF SHIKOKU CHEMICALS CORPORATION (JP) 2010-02-11 — — WO disclosed
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