SCHEMBL11040381

SCHEMBL11040381

Nc1nc(Cl)nc(Oc2ccccc2O)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.53
GAA P10253 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 5/20 0.39
TSHR P16473 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TP53 P04637 1/20 0.36
ADORA2A P29274 2/20 0.35
LMNA P02545 4/20 0.34
MAPT P10636 3/20 0.34
JAK2 O60674 1/20 0.34
ALDH1A1 P00352 3/20 0.34
ALOX15 P16050 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
HSP90AB1 P08238 1/20 0.34
HPGD P15428 2/20 0.33

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
SCHEMBL7925149 0.78 GAA (0.54) GAAKMT2APOLBSMN1; SMN2TSHR
SCHEMBL10639500 0.74 HSP90AA1 (0.42) HSP90AA1GAAKMT2APOLBSMN1; SMN2
SCHEMBL870736 0.72 HSP90AA1 (0.54) HSP90AA1KMT2ATSHRCA1CA2
SCHEMBL9368382 0.71 HSP90AA1 (0.49) HSP90AA1GAAPOLBSMN1; SMN2LMNA
SCHEMBL5939965 0.71 HSP90AA1 (0.53) HSP90AA1GAAKMT2ASMN1; SMN2CA1
Ammonia Solution, Strong SCHEMBL28322857 0.70 CA2 (0.59) GAAKMT2APOLBSMN1; SMN2TSHR
SCHEMBL11135278 0.69 GAA (0.62) GAAKMT2APOLBSMN1; SMN2TSHR
SCHEMBL9371356 0.69 HSP90AA1 (0.54) HSP90AA1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL19142340 0.69 GAA (0.46) GAAKMT2APOLBSMN1; SMN2TSHR
SCHEMBL25148162 0.69 HSP90AA1 (0.67) HSP90AA1KMT2ASMN1; SMN2ADORA2ALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59215339-A None JP disclosed
JP-S59215339-A RUBBER COMPOSITION YOKOHAMA RUBBER CO LTD:THE 1984-12-05 JP disclosed
US-4052392-A INCREASES BOND STRENGTH BETWEEN RUBBER AND COPPER OR ALLOY IMPERIAL CHEMICAL INDUSTRIES LIMITED (EN) 1977-10-04 US disclosed