SCHEMBL9877326

SCHEMBL9877326

CCN(C)CCCCNC(=O)Cn1ncc(-c2ccc(Br)cc2)c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 2/20 0.40
KMT2A Q03164 2/20 0.40
ADRB3 P13945 1/20 0.40
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
USP2 O75604 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL9877410 0.85 PTGIR (0.48) PTGIRLMNAKMT2AADRB3USP2
SCHEMBL9878090 0.84 PTGIR (0.50) PTGIRLMNAKMT2AADRB3USP2
Ipazilide SCHEMBL635854 0.82 MAPK1 (0.55) PTGIRKMT2AMEN1TP53MAPK1
Ipazilide SCHEMBL9877353 0.81 MAPK1 (0.54) PTGIRKMT2AMEN1TP53MAPK1
SCHEMBL10358746 0.80 TP53 (0.52) PTGIRKMT2AMEN1TP53MAPK1
Hydrochloric Acid SCHEMBL9877683 0.80 PTGIR (0.47) PTGIRLMNAKMT2AADRB3TP53
SCHEMBL9877376 0.80 MAPK1 (0.51) PTGIRKMT2AMEN1TP53MAPK1
SCHEMBL9878032 0.80 MAPK1 (0.51) PTGIRKMT2AMEN1TP53MAPK1
SCHEMBL9876977 0.80 MEN1 (0.52) PTGIRKMT2AADRB3MEN1TP53
SCHEMBL9877935 0.79 PTGIR (0.53) PTGIRKMT2AADRB3TP53MAPK1

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
US-4988725-A Cardiovascular disorders, antiarrhythmia agents STERLING DRUG INC. (US) 1991-01-29 US disclosed
EP-0299407-B1 1H-PYRAZOLE-1-ALKANAMIDES AND PREPARATION USEFUL AS ANTIARRHYTHMIC AGENTS STERLING DRUG INC. (US) 1990-10-24 EP disclosed
EP-0388654-A2 Azole-1-alkanamides as antiarrhythmic agents and preparation thereof STERLING DRUG INC. (US) 1990-09-26 EP disclosed
US-4916150-A 1H-pyrazole-1-alkanamines antiarrhythmic compositions and use STERLING DRUG INC. (US) 1990-04-10 US disclosed
US-4870095-A 1H-pyrazole-1-alkanamides, antiarrhythmic compositions and use STERLING DRUG, INC. (US) 1989-09-26 US disclosed
EP-0299407-A1 1H-pyrazole-1-alkanamides and preparation useful as antiarrhythmic agents STERLING DRUG INC. (US) 1989-01-18 EP disclosed