SCHEMBL29255940

SCHEMBL29255940

NCC(=O)Sn1cnc2cncnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 1/20 0.42
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ DNMT3B Q9UBC3 1/20 0.36
▸ CYP1A2 P05177 4/20 0.33
▸ CYP2C19 P33261 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ LMNA P02545 3/20 0.33
▸ TSHR P16473 3/20 0.33
▸ CYP3A4 P08684 3/20 0.33
▸ CYP2C9 P11712 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HBB P68871 1/20 0.33
▸ USP2 O75604 3/20 0.32
▸ LTA4H P09960 1/20 0.32
▸ MKNK2 Q9HBH9 1/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ CLK4 Q9HAZ1 1/20 0.31
▸ IRAK4 Q9NWZ3 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
SCHEMBL11543167 0.77 FDPS (0.42) FDPSHDAC1HDAC6DNMT3BCYP1A2
SCHEMBL28495984 0.72 FDPS (0.43) FDPSHDAC1HDAC6DNMT3BCYP1A2
SCHEMBL27469939 0.71 CYP1A2 (0.41) FDPSHDAC1HDAC6CYP1A2CYP2C19
SCHEMBL1371020 0.71 FDPS (0.40) FDPSHDAC1HDAC6CYP1A2CYP2C19
SCHEMBL9081767 0.70 HDAC1 (0.40) FDPSHDAC1HDAC6DNMT3BCYP1A2
SCHEMBL7592031 0.70 FDPS (0.40) FDPSHDAC1HDAC6DNMT3BCYP1A2
SCHEMBL27535766 0.69 FDPS (0.40) FDPSHDAC1HDAC6DNMT3BCYP1A2
SCHEMBL3646046 0.68 FDPS (0.44) FDPSHDAC1HDAC6DNMT3BCYP1A2
SCHEMBL6948592 0.68 FDPS (0.55) FDPSHDAC1HDAC6DNMT3BCYP1A2
SCHEMBL27773587 0.67 FDPS (0.46) FDPSHDAC1HDAC6DNMT3BCYP1A2

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-113164570-B Proteins binding NKG2D, CD and tumor-associated antigens 蜻蜓疗法股份有限公司 2024-05-14 — — CN disclosed
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