SCHEMBL19790970

SCHEMBL19790970

CCC1Nc2ccccc2/C1=C/C=C1\CNc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.40
▸ NOS2 P35228 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ BRD4 O60885 1/20 0.30
▸ CREBBP Q92793 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
SCHEMBL18830891 0.69 JAK2 (0.36) JAK2NOS2
SCHEMBL15291319 0.68 JAK2 (0.39) JAK2NOS2BRD4
SCHEMBL3692774 0.65 NOS2 (0.41) JAK2NOS2
SCHEMBL3692772 0.65 NOS2 (0.41) JAK2NOS2
SCHEMBL30785015 0.65 NOS2 (0.41) JAK2NOS2
SCHEMBL5210885 0.63 JAK2 (0.54) JAK2NOS2BRD4CREBBP
SCHEMBL28129799 0.62 MAOB (0.43) JAK2
SCHEMBL16426758 0.62 RAB9A (0.55) —
SCHEMBL16426757 0.62 RAB9A (0.55) —
SCHEMBL10871376 0.62 JAK2 (0.33) JAK2NOS2HTR2B

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-2492987-B1 ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL & SUMIKIN CHEM CO (JP) 2018-01-24 — — EP disclosed
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