SCHEMBL28853727

SCHEMBL28853727

Cc1ccncc1C(=O)C1CCN(C(C)C=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 1/20 0.43
▸ SIRT3 Q9NTG7 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ GPR6 P46095 1/20 0.36
▸ SCD O00767 3/20 0.36
▸ ACKR3 P25106 2/20 0.35
▸ MGLL Q99685 2/20 0.35
▸ SOST Q9BQB4 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ CYP46A1 Q9Y6A2 2/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ ITGB3 P05106 1/20 0.33
▸ ITGA2B P08514 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL28853725 0.85 SMYD3 (0.44) SMYD3SIRT3TDP1GPR6SCD
SCHEMBL28188448 0.79 SLC18A3 (0.52) TDP1ACKR3MGLLGAA
SCHEMBL18228493 0.78 NAMPT (0.46) SMYD3SIRT3TDP1GPR6MGLL
SCHEMBL28188541 0.72 MGLL (0.40) MGLLHSD11B1POLB
SCHEMBL27737581 0.70 HSD11B1 (0.53) ACKR3MGLLHSD11B1
SCHEMBL28853735 0.69 SLC18A3 (0.55) HSD11B1POLB
SCHEMBL28187875 0.66 KLK7 (0.48) TDP1KDM4E
SCHEMBL27968956 0.66 LMNA (0.52) KDM4EPOLBGAA
SCHEMBL8020048 0.64 TDP1 (0.61) SMYD3SIRT3TDP1KDM4EGAA
SCHEMBL3436394 0.63 CYP3A4 (0.50) TDP1CYP46A1ABL1KDM4EGAA

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
CN-107635986-A Substituted quinoxaline derivatives 赛尔维他股份公司 2018-01-26 — — CN disclosed
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