SCHEMBL10401441

SCHEMBL10401441

CCOC(=O)Cn1ncc(-c2ccc(C#N)cc2)c1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.63
S1PR1 P21453 1/20 0.52
CYP11B2 P19099 3/20 0.52
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
GAA P10253 1/20 0.45
PTGIR P43119 2/20 0.45
SQOR Q9Y6N5 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL6739802 0.95 CYP11B2 (0.56) SMN1; SMN2S1PR1CYP11B2KDM4EALDH1A1
SCHEMBL9877095 0.89 SMN1; SMN2 (0.76) SMN1; SMN2S1PR1KDM4EALDH1A1TSHR
SCHEMBL9877279 0.86 SMN1; SMN2 (0.68) SMN1; SMN2S1PR1KDM4EALDH1A1TSHR
SCHEMBL9877275 0.85 SMN1; SMN2 (0.67) SMN1; SMN2S1PR1KDM4EALDH1A1TSHR
SCHEMBL9878548 0.85 SMN1; SMN2 (0.67) SMN1; SMN2S1PR1KDM4EALDH1A1TSHR
SCHEMBL9877383 0.85 SMN1; SMN2 (0.67) SMN1; SMN2S1PR1KDM4EALDH1A1TSHR
SCHEMBL9877360 0.84 SMN1; SMN2 (0.65) SMN1; SMN2S1PR1KDM4EALDH1A1TSHR
SCHEMBL10401498 0.83 SMN1; SMN2 (0.64) SMN1; SMN2S1PR1KDM4EALDH1A1TSHR
SCHEMBL10413497 0.83 SMN1; SMN2 (0.67) SMN1; SMN2S1PR1KDM4EALDH1A1TSHR
SCHEMBL10401524 0.81 SMN1; SMN2 (0.61) SMN1; SMN2S1PR1KDM4EALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0388690-A1 Azole-1-alkanamides as antiarrhytmic agents and preparation thereof STERLING DRUG INC. (US) 1990-09-26 EP disclosed
US-4898880-A N-(heterocycle)alkyl)-1H-pyrazole-1-alkanamides as antiarrhythmic agents, compositions and use STERLING DRUG INC. (US) 1990-02-06 US disclosed
US-4870095-A 1H-pyrazole-1-alkanamides, antiarrhythmic compositions and use STERLING DRUG, INC. (US) 1989-09-26 US disclosed