SCHEMBL7961022

SCHEMBL7961022

CCCCCCc1ccc(Nc2cc(=O)[nH]c(=O)n2CCO)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ UNG P13051 7/20 1.00
▸ TP53 P04637 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ XBP1 P17861 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ P2RX3 P56373 1/20 0.45
▸ GPR84 Q9NQS5 4/20 0.43
▸ SPHK1 Q9NYA1 5/20 0.41
▸ SPHK2 Q9NRA0 1/20 0.41

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
SCHEMBL7962185 1.00 UNG (1.00) UNGTP53MAPTHPGDXBP1
SCHEMBL7960794 0.94 UNG (1.00) UNGTP53MAPTHPGDXBP1
SCHEMBL7960912 0.92 UNG (0.85) UNGTP53MAPTHPGDXBP1
SCHEMBL7962206 0.89 UNG (0.79) UNGTP53MAPTHPGDXBP1
SCHEMBL7961025 0.87 UNG (1.00) UNGTP53MAPTHPGDXBP1
SCHEMBL7962511 0.87 UNG (1.00) UNGTP53MAPTHPGDXBP1
SCHEMBL7951393 0.86 UNG (0.90) UNGTP53MAPTHPGDXBP1
SCHEMBL7951048 0.86 UNG (0.75) UNGTP53MAPTHPGDXBP1
SCHEMBL7961004 0.83 UNG (0.72) UNGTP53MAPTHPGDXBP1
SCHEMBL7964267 0.83 UNG (0.72) UNGTP53MAPTHPGDXBP1

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
US-6177437-B1 VIRICIDES UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER 2001-01-23 — — US claimed
US-6177437-B1 VIRICIDES UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER 2001-01-23 — — US disclosed
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