SCHEMBL7795696

SCHEMBL7795696

CC(=O)N(c1ccccc1)C(C)C#N

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
MAPT P10636 1/20 0.52
ALDH1A1 P00352 5/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 2/20 0.41
ALOX5 P09917 1/20 0.40
MLYCD O95822 1/20 0.39
PKM P14618 1/20 0.38
TRPM8 Q7Z2W7 2/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C1 Q04828 1/20 0.37
APAF1 O14727 1/20 0.36
NPC1 O15118 1/20 0.36
CTSL P07711 2/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
ESR1 P03372 1/20 0.36

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
SCHEMBL11770803 0.87 LMNA (0.46) LMNAMAPTALDH1A1TP53SMN1; SMN2
SCHEMBL10910683 0.84 LMNA (0.47) LMNAMAPTALDH1A1TP53SMN1; SMN2
SCHEMBL10907926 0.84 ALOX5 (0.46) LMNAMAPTALDH1A1TP53SMN1; SMN2
SCHEMBL2815024 0.83 LMNA (0.42) LMNAMAPTALDH1A1TP53SMN1; SMN2
SCHEMBL5564538 0.83 LMNA (0.50) LMNAMAPTALDH1A1TP53SMN1; SMN2
SCHEMBL14361963 0.82 LMNA (0.46) LMNAMAPTALDH1A1TP53SMN1; SMN2
SCHEMBL4876557 0.79 ALDH1A1 (0.61) LMNAMAPTALDH1A1TP53SMN1; SMN2
SCHEMBL11707329 0.79 MAPT (0.36) LMNAMAPTALDH1A1TP53SMN1; SMN2
SCHEMBL11249889 0.76 LMNA (0.49) LMNAMAPTALDH1A1TP53SMN1; SMN2
SCHEMBL10398307 0.76 ALDH1A1 (0.49) LMNAMAPTALDH1A1TP53SMN1; SMN2

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
EP-1099729-A2 Mixtures of dispersive monoazo dyestuffs DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2001-05-16 EP disclosed