SCHEMBL2874845

SCHEMBL2874845

Clc1ccc(Cc2cnc[nH]2)c(Cl)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 7/20 0.47
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
HRH3 Q9Y5N1 7/20 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
PKM P14618 1/20 0.41

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
SCHEMBL2626818 0.77 ADRA1D (0.61) ADRA1DADRA2AADRA2BADRA2CADRA1A
SCHEMBL2744736 0.72 ADRA1D (0.55) ADRA1DADRA2AADRA2BADRA2CADRA1A
SCHEMBL4465598 0.72 CYP3A4 (0.43) TAAR1CYP3A4MAPTSMN1; SMN2
SCHEMBL2626822 0.71 HRH3 (0.55) ADRA1DADRA2AADRA2BADRA2CADRA1A
SCHEMBL26960858 0.69 ADRA1D (0.51) ADRA1DADRA2AADRA2BADRA2CADRA1A
SCHEMBL2626817 0.68 ADRA1D (0.63) ADRA1DADRA2AADRA2BADRA2CADRA1A
SCHEMBL4221809 0.68 ADRA2C (0.60) ADRA1DADRA2CADRA1AADRA1BTAAR1
SCHEMBL2626804 0.66 DAO (0.50) ADRA1DADRA2AADRA2BADRA2CADRA1A
SCHEMBL2626803 0.66 ADRA1D (0.48) ADRA1DADRA2AADRA2BADRA2CADRA1A
SCHEMBL2880260 0.66 IDO1 (0.54) ADRA2ACYP3A4SMN1; SMN2

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