SCHEMBL9878090

SCHEMBL9878090

CN(C)CCCCCCNC(=O)Cn1ncc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.50
LMNA P02545 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
ADRB3 P13945 1/20 0.42
TP53 P04637 1/20 0.41
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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 0.99 PTGIR (0.48) PTGIRLMNAHDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL9877683 0.93 PTGIR (0.47) PTGIRLMNAADRB3TP53KDM4E
Water SCHEMBL9877241 0.90 LMNA (0.51) PTGIRLMNAADRB3KDM4EKMT2A
SCHEMBL9877935 0.86 PTGIR (0.53) PTGIRADRB3TP53KMT2AALDH1A1
Ipazilide SCHEMBL635854 0.84 MAPK1 (0.55) PTGIRTP53KDM4EKMT2AALDH1A1
SCHEMBL9877326 0.84 PTGIR (0.41) PTGIRLMNAHDAC3HDAC4HDAC1
SCHEMBL9877283 0.84 PTGIR (0.51) PTGIRADRB3TP53
SCHEMBL9878048 0.83 TP53 (0.46) PTGIRADRB3TP53KMT2AALDH1A1
Ipazilide SCHEMBL9877353 0.83 MAPK1 (0.54) PTGIRTP53KDM4EKMT2AALDH1A1
SCHEMBL10358746 0.83 TP53 (0.52) PTGIRTP53KDM4EKMT2AALDH1A1

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