SCHEMBL28997154

SCHEMBL28997154

C=CCCC(=O)Nc1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.57
HDAC1 Q13547 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
TGM2 P21980 1/20 0.56
NAMPT P43490 1/20 0.56
GAA P10253 2/20 0.54
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.51
POLB P06746 1/20 0.50
ATM Q13315 1/20 0.49
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL29005915 0.89 HDAC3 (0.65) HDAC3HDAC1HDAC2HDAC6TGM2
SCHEMBL6462546 0.84 HDAC3 (0.58) HDAC3HDAC1HDAC2HDAC6GAA
SCHEMBL28997297 0.83 NPC1 (0.61) TGM2NAMPTKMT2AMEN1TP53
SCHEMBL28997137 0.83 POLB (0.62) HDAC3HDAC1HDAC2HDAC6TGM2
SCHEMBL2274138 0.83 ALDH1A1 (0.58) NAMPTGAAALDH1A1KMT2AMEN1
SCHEMBL29054681 0.83 NAMPT (0.46) HDAC3HDAC1HDAC2HDAC6NAMPT
SCHEMBL28444124 0.82 TGM2 (0.59) HDAC3HDAC1HDAC2HDAC6TGM2
SCHEMBL2577548 0.82 NAMPT (0.62) HDAC3HDAC1HDAC2HDAC6TGM2
SCHEMBL29005912 0.82 TGM2 (0.59) TGM2NAMPTALDH1A1KMT2AMEN1
SCHEMBL28997258 0.81 MEN1 (0.66) HDAC3HDAC1HDAC2HDAC6NAMPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3703692-B1 NOVEL SUBSTITUTED TETRAHYDROQUINOLIN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-07-23 EP claimed
CN-115894323-A Method for self-cyclizing cyanation of enaminoaniline compound 湖北工业大学 2023-04-04 CN claimed
CN-121537383-A Benzimidazole isoquinoline Synthesis method of ketonization reaction 湖北工业大学 2026-02-17 CN disclosed
CN-116621723-B Method for oxidizing non-activated end group olefin into secondary alcohol 江苏科技大学 2024-10-18 CN disclosed
CN-116621723-A Method for oxidizing non-activated end group olefin into secondary alcohol 江苏科技大学 2023-08-22 CN disclosed
CN-115894323-A Method for self-cyclizing cyanation of enaminoaniline compound 湖北工业大学 2023-04-04 CN disclosed