SCHEMBL18830891

SCHEMBL18830891

C/C=C\C=C1/CNc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.36
▸ NOS2 P35228 1/20 0.33
▸ ALOX15 P16050 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ BRPF1 P55201 1/20 0.32
▸ GAA P10253 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL15291319 0.81 JAK2 (0.39) JAK2NOS2ALOX15HSD17B10BRPF1
SCHEMBL3692774 0.73 NOS2 (0.41) JAK2NOS2ALOX15HSD17B10BRPF1
SCHEMBL30785015 0.73 NOS2 (0.41) JAK2NOS2ALOX15HSD17B10BRPF1
SCHEMBL3692772 0.73 NOS2 (0.41) JAK2NOS2ALOX15HSD17B10BRPF1
SCHEMBL28129799 0.70 MAOB (0.43) JAK2HSD17B10
SCHEMBL19790970 0.69 JAK2 (0.40) JAK2NOS2
SCHEMBL29556997 0.69 JAK2 (0.36) JAK2NOS2ALOX15HSD17B10GAA
SCHEMBL8705808 0.68 NOS2 (0.34) JAK2NOS2ALOX15HSD17B10
SCHEMBL14069636 0.68 GAA (0.37) ALOX15HSD17B10GAANPSR1
SCHEMBL10871376 0.67 JAK2 (0.33) JAK2NOS2BRPF1

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
EP-2872512-B1 BENZIMIDAZO[1,2-A]BENZIMIDAZOLE DERIVATIVES FOR ELECTRONIC APPLICATIONS UDC IRELAND LTD (IE) 2017-05-10 — — EP disclosed
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