SCHEMBL21508909

SCHEMBL21508909

C=Cc1ncc(CC)cn1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ PDXK O00764 1/20 0.32
▸ NOS3 P29474 1/20 0.30
▸ NOS1 P29475 1/20 0.30
▸ NOS2 P35228 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HRH3 Q9Y5N1 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
SCHEMBL19728335 0.76 GABRA1 (0.33) —
SCHEMBL28667869 0.74 ALDH1A1 (0.40) —
SCHEMBL15007 0.73 KDM4E (0.61) KDM4EL3MBTL1NOS3NOS1NOS2
SCHEMBL16703905 0.72 — —
SCHEMBL830410 0.69 KDM4E (0.38) KDM4EL3MBTL1NOS3NOS1NOS2
SCHEMBL422266 0.69 — —
SCHEMBL28464701 0.69 PDXK (0.39) KDM4EL3MBTL1PDXK
SCHEMBL11456047 0.69 PDXK (0.38) KDM4EL3MBTL1PDXKNOS3NOS1
SCHEMBL9171315 0.69 PDXK (0.34) KDM4EL3MBTL1PDXK
SCHEMBL19792099 0.67 NOS3 (0.36) KDM4EL3MBTL1NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3209651-B9 CARBAZOLE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2020-05-20 — — EP disclosed
EP-3209651-B1 CARBAZOLE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2019-10-23 — — EP disclosed
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