SCHEMBL9422341

SCHEMBL9422341

O=C(c1ccccc1)C1CNC(Cl)C(Cl)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HTR2A P28223 1/20 0.36
CPB1 P15086 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
HSD11B1 P28845 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
HBB P68871 1/20 0.35
MCL1 Q07820 1/20 0.35
SLC18A3 Q16572 1/20 0.35
EPHX1 P07099 1/20 0.34

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
SCHEMBL5755300 0.77 CYP1A2 (0.58) CPB1ALOX15
SCHEMBL27676402 0.74 CYP1A2 (0.42) MGLLKMT2AMEN1HTR2ACPB1
SCHEMBL28763238 0.72 ALDH1A1 (0.40) MGLLHTR2ACPB1CHRNB2CHRNB4
SCHEMBL24111518 0.71 CHRNB2 (0.50) MGLLKMT2AMEN1HTR2ACPB1
SCHEMBL10860742 0.70 CYP1A2 (0.58) CPB1ALOX15
Hydrochloric Acid SCHEMBL25370921 0.70 CHRNB2 (0.49) MGLLKMT2AMEN1HTR2ACPB1
SCHEMBL6567240 0.69 MAPT (0.45) CPB1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL18428493 0.68 HTR2A (0.56) MGLLKMT2AMEN1HTR2ACPB1
SCHEMBL324342 0.68 HTR2A (0.56) MGLLKMT2AMEN1HTR2ACPB1
SCHEMBL27676384 0.68 KDM4E (0.42) KMT2AMEN1MAPT

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-1994024717-A1 SULFONATED POLYMERS FOR SOLID POLYMER ELECTROLYTES MAXDEM INCORPORATED (US) 1994-10-27 WO disclosed