SCHEMBL9878048

SCHEMBL9878048

CC(C)N(CCCNC(=O)Cn1ncc(-c2ccccc2)c1-c1ccccc1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.46
PTGIR P43119 2/20 0.46
ADRB3 P13945 1/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM5B Q9UGL1 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
SCHEMBL9877935 0.87 PTGIR (0.53) TP53PTGIRADRB3KMT2AALDH1A1
Ipazilide SCHEMBL635854 0.86 MAPK1 (0.55) TP53PTGIRKMT2AALDH1A1MAPK1
Hydrochloric Acid SCHEMBL9877683 0.86 PTGIR (0.47) TP53PTGIRADRB3KMT2AALDH1A1
Ipazilide SCHEMBL9877353 0.85 MAPK1 (0.54) TP53PTGIRKMT2AALDH1A1MAPK1
SCHEMBL9877410 0.84 PTGIR (0.48) TP53PTGIRADRB3KMT2AALDH1A1
SCHEMBL10358746 0.84 TP53 (0.52) TP53PTGIRKMT2AALDH1A1MAPT
SCHEMBL9878090 0.83 PTGIR (0.50) TP53PTGIRADRB3KMT2AALDH1A1
SCHEMBL10359758 0.83 PTGIR (0.49) TP53PTGIRADRB3KMT2AALDH1A1
SCHEMBL9877283 0.83 PTGIR (0.51) TP53PTGIRADRB3
Hydrochloric Acid SCHEMBL10506008 0.82 PTGIR (0.48) TP53PTGIRADRB3KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4870095-A 1H-pyrazole-1-alkanamides, antiarrhythmic compositions and use STERLING DRUG, INC. (US) 1989-09-26 US claimed
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