SCHEMBL28847641

SCHEMBL28847641

N#CCCCCC(=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.68
L3MBTL1 Q9Y468 2/20 0.68
MAPT P10636 2/20 0.68
LMNA P02545 1/20 0.68
HDAC1 Q13547 8/20 0.61
HDAC8 Q9BY41 6/20 0.61
HDAC3 O15379 3/20 0.61
HDAC2 Q92769 3/20 0.61
HDAC4 P56524 2/20 0.61
HDAC7 Q8WUI4 2/20 0.61
HDAC10 Q969S8 2/20 0.61
HDAC11 Q96DB2 2/20 0.61
HDAC6 Q9UBN7 2/20 0.61
HDAC9 Q9UKV0 2/20 0.61
HDAC5 Q9UQL6 2/20 0.61
NPC1 O15118 1/20 0.55
CASP3 P42574 1/20 0.55
RAB9A P51151 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55

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
SCHEMBL31612315 0.98 TDP1 (0.71) TDP1L3MBTL1MAPTLMNAHDAC1
SCHEMBL29098894 0.98 TDP1 (0.71) TDP1L3MBTL1MAPTLMNAHDAC1
SCHEMBL31612295 0.98 TDP1 (0.71) TDP1L3MBTL1MAPTLMNAHDAC1
SCHEMBL9185068 0.94 TDP1 (0.64) TDP1L3MBTL1MAPTLMNAHDAC1
SCHEMBL1941975 0.86 TDP1 (0.57) TDP1L3MBTL1MAPTLMNAHDAC1
SCHEMBL7068671 0.84 TDP1 (0.95) TDP1L3MBTL1MAPTLMNAHDAC1
SCHEMBL11657540 0.82 L3MBTL1 (0.53) TDP1L3MBTL1MAPTLMNANPC1
SCHEMBL11659075 0.82 HDAC1 (0.58) TDP1L3MBTL1MAPTLMNAHDAC1
SCHEMBL8519287 0.82 TDP1 (1.00) TDP1L3MBTL1MAPTLMNAHDAC1
SCHEMBL27516050 0.82 TDP1 (1.00) TDP1L3MBTL1MAPTLMNAHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120118001-A Aerobic nitriding method for olefin compounds 北京大学 2025-06-10 CN disclosed
CN-115093346-B Method for preparing nitrile compound from different substituted cycloalkanone in one step 西安交通大学 2023-05-23 CN disclosed
CN-115093346-A Method for preparing nitrile compounds from different substituted cycloalkanones in one step 西安交通大学 2022-09-23 CN disclosed