SCHEMBL1289397

SCHEMBL1289397

c1ccc2oc(-c3nc(NCCCN4CCCC4)c4ccccc4n3)cc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 6/20 0.67
MAPK1 P28482 3/20 0.59
TSHR P16473 3/20 0.59
ALOX15 P16050 2/20 0.59
TP53 P04637 1/20 0.59
MAPT P10636 5/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 2/20 0.54
POLB P06746 2/20 0.54
KDM4E B2RXH2 1/20 0.54
HTT P42858 1/20 0.54
HRH3 Q9Y5N1 1/20 0.53
FLT3 P36888 1/20 0.47
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 3/20 0.46
HSD17B10 Q99714 3/20 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
Hydrochloric Acid SCHEMBL4511035 0.99 ACP1 (0.66) ACP1MAPK1TSHRALOX15TP53
SCHEMBL1289411 0.92 MAPK1 (0.57) ACP1MAPK1TSHRALOX15TP53
SCHEMBL1289434 0.92 MAPK1 (0.71) ACP1MAPK1TSHRALOX15TP53
Hydrochloric Acid SCHEMBL4511251 0.91 MAPK1 (0.70) ACP1MAPK1TSHRALOX15TP53
SCHEMBL4498537 0.83 PDE5A (0.58) ACP1MAPK1MAPTNPSR1MEN1
SCHEMBL1687974 0.81 HRH2 (0.51) ACP1MAPK1TSHRALOX15TP53
SCHEMBL1289430 0.80 ALDH1A1 (0.65) ACP1MAPK1KMT2AALDH1A1POLB
SCHEMBL12473363 0.79 ALDH1A1 (0.60) ACP1MAPK1KMT2AALDH1A1POLB
Hydrochloric Acid SCHEMBL4507915 0.79 ALDH1A1 (0.67) ACP1MAPK1KMT2AALDH1A1POLB
Hydrochloric Acid SCHEMBL4500478 0.78 ALDH1A1 (0.62) ACP1MAPK1KMT2AALDH1A1POLB

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-2012046207-A1 ANTI-PARASITIC SUBSTITUTED RING FUSED AZINE COMPOUNDS PARACO TECHNOLOGY LIMITED (NZ) 2012-04-12 WO disclosed