SCHEMBL23162502

SCHEMBL23162502

C=C(C=O)CCCn1cnc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGLN3 Q9H6Z9 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ SMN1; SMN2 Q16637 7/20 0.51
▸ LMNA P02545 4/20 0.51
▸ TSHR P16473 2/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ HTT P42858 5/20 0.49
▸ MAPT P10636 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ DRD2 P14416 2/20 0.47
▸ DRD4 P21917 2/20 0.47
▸ DRD3 P35462 2/20 0.47
▸ STAT3 P40763 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 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
SCHEMBL6849667 0.80 EGLN3 (0.68) EGLN3TDP1SMN1; SMN2LMNATSHR
SCHEMBL3042066 0.80 EGLN3 (0.82) EGLN3TDP1SMN1; SMN2LMNATSHR
SCHEMBL9814242 0.78 TDP1 (0.84) EGLN3TDP1SMN1; SMN2LMNATSHR
SCHEMBL3161153 0.78 TDP1 (0.84) EGLN3TDP1SMN1; SMN2LMNATSHR
SCHEMBL30294105 0.78 TDP1 (0.84) EGLN3TDP1SMN1; SMN2LMNATSHR
SCHEMBL29328482 0.78 TDP1 (0.66) EGLN3TDP1SMN1; SMN2LMNATSHR
SCHEMBL5913587 0.77 TDP1 (0.75) EGLN3TDP1SMN1; SMN2LMNATSHR
SCHEMBL353009 0.77 TDP1 (0.81) EGLN3TDP1SMN1; SMN2LMNATSHR
Ammonia Solution, Strong SCHEMBL7100443 0.77 TDP1 (0.81) EGLN3TDP1SMN1; SMN2LMNATSHR
SCHEMBL352046 0.77 TDP1 (0.81) EGLN3TDP1SMN1; SMN2LMNATSHR

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-2021062199-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-04-01 — — WO disclosed
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