SCHEMBL29289938

SCHEMBL29289938

CC(O)c1ccnc(CN)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 1/20 0.41
▸ PLAU P00749 1/20 0.41
▸ UGT2B7 P16662 1/20 0.36
▸ RECQL P46063 5/20 0.35
▸ TDP1 Q9NUW8 5/20 0.35
▸ MAPT P10636 4/20 0.35
▸ LMNA P02545 4/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ APEX1 P27695 3/20 0.35
▸ BLM P54132 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ ADRB2 P07550 1/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADRB3 P13945 1/20 0.35
▸ DRD2 P14416 1/20 0.35

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
SCHEMBL3507581 0.85 TLR9 (0.38) LMNAKDM4ECYP3A4POLBCYP1A2
SCHEMBL18415133 0.83 CYP1A2 (0.47) PLGPLAUUGT2B7LMNAKDM4E
SCHEMBL24633564 0.81 CYP3A4 (0.36) LMNAKDM4ECYP3A4POLBCYP1A2
SCHEMBL514592 0.75 NOS3 (0.48) PLGPLAUUGT2B7RECQLTDP1
SCHEMBL17198732 0.72 UHRF1 (0.48) PLGPLAUUGT2B7KMT2AMEN1
SCHEMBL19846691 0.72 UHRF1 (0.48) PLGPLAUUGT2B7KMT2AMEN1
SCHEMBL15277731 0.71 PLG (0.41) PLGPLAUUGT2B7RECQLTDP1
SCHEMBL21200276 0.71 PLG (0.41) PLGPLAUUGT2B7KDM4EKMT2A
SCHEMBL22945803 0.71 PLG (0.41) PLGPLAUUGT2B7KMT2ACYP3A4
SCHEMBL568609 0.71 PLG (0.41) PLGPLAUUGT2B7KDM4EKMT2A

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
CN-113563245-B Substituted pyrrolidines and their use in medicine 广东东阳光药业股份有限公司 2024-10-15 — — CN disclosed
CN-113563245-A Substituted pyrrolidine compounds and application thereof in medicines 广东东阳光药业有限公司 2021-10-29 — — CN disclosed
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