SCHEMBL9877935

SCHEMBL9877935

O=C(Cn1ncc(-c2ccccc2)c1-c1ccccc1)NCCCO

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.53
ADRB3 P13945 1/20 0.46
TP53 P04637 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL10359758 0.90 PTGIR (0.49) PTGIRADRB3TP53SMN1; SMN2ALDH1A1
SCHEMBL9877283 0.90 PTGIR (0.51) PTGIRADRB3TP53SMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL10506008 0.89 PTGIR (0.48) PTGIRADRB3TP53SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL9877683 0.88 PTGIR (0.47) PTGIRADRB3TP53ALDH1A1KMT2A
Ipazilide SCHEMBL635854 0.88 MAPK1 (0.55) PTGIRTP53POLBALDH1A1KMT2A
SCHEMBL10359077 0.88 PTGIR (0.49) PTGIRADRB3TP53SMN1; SMN2ALDH1A1
Ipazilide SCHEMBL9877353 0.87 MAPK1 (0.54) PTGIRTP53POLBALDH1A1KMT2A
SCHEMBL9878048 0.87 TP53 (0.46) PTGIRADRB3TP53ALDH1A1KMT2A
SCHEMBL9877735 0.87 PTGIR (0.48) PTGIRADRB3TP53SMN1; SMN2ALDH1A1
SCHEMBL9877410 0.87 PTGIR (0.48) PTGIRADRB3TP53ALDH1A1KMT2A

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