SCHEMBL23798470

SCHEMBL23798470

Cc1ccncc1C(=O)N(C)C(C)N1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIRT3 Q9NTG7 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ OPRD1 P41143 6/20 0.38
▸ OPRM1 P35372 4/20 0.38
▸ SMYD3 Q9H7B4 1/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.35
▸ KCNA5 P22460 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ CYP2D6 P10635 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ REN P00797 4/20 0.32
▸ RPS6KA3 P51812 1/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32

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
SCHEMBL23798468 0.79 GPR119 (0.45) —
SCHEMBL21227703 0.77 SIRT3 (0.54) SIRT3TDP1SMYD3
SCHEMBL21227634 0.74 SIRT3 (0.51) SIRT3TDP1SMYD3TSHR
SCHEMBL25102680 0.73 SIRT3 (0.50) SIRT3TDP1SMYD3
SCHEMBL14907222 0.70 SIRT3 (0.61) SIRT3TDP1
SCHEMBL4086407 0.70 SIRT3 (0.46) SIRT3TDP1SMYD3MKNK1MKNK2
SCHEMBL15563693 0.69 SIRT3 (0.59) SIRT3TDP1MKNK1MKNK2
SCHEMBL22318560 0.68 ALDH1A1 (0.48) OPRD1OPRM1MKNK1MKNK2KCNA5
SCHEMBL12310852 0.67 SIRT3 (0.49) SIRT3TDP1SMYD3
SCHEMBL22318107 0.67 SIRT3 (0.37) SIRT3TDP1SMYD3TSHRALDH1A1

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-2021178920-A1 COMPOUNDS FOR TARGETED DEGRADATION OF BRD9 C4 THERAPEUTICS, INC. (US) 2021-09-10 — — WO disclosed
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